Geometry & MOs

Info

ID:	57271
PubChem CID:	22395569
Reduced:	N20O25C70H116 (1)
Stoich.:	A20B25C70D116 (1)
Weight, g/mol:	178.074228
ΔH_f, kcal/mol:	-1180.43
Dipole, Da:	10.07
IP(EA), eV:	-9.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dinitroso-2-propan-2-ylbenzene

Drug info:

Smile

CCC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)N

DOS

IR

Vibrations