Geometry & MOs

Info

ID:	185833
PubChem CID:	77356390
Reduced:	O2N7H43C45 (1)
Stoich.:	A2B7C43D45 (1)
Weight, g/mol:	187.053964
ΔH_f, kcal/mol:	117.93
Dipole, Da:	6.12
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC1C(C(=O)N2C(=N1)NC(=O)C2(C)C)CC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations