Geometry & MOs

Info

ID:	230827
PubChem CID:	87572089
Reduced:	N4O7C27H28 (1)
Stoich.:	A4B7C27D28 (1)
Weight, g/mol:	520.195799
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	6.39
IP(EA), eV:	-9.8(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5,6-bis(4-nitrophenyl)pyridin-3-yl]oxymethyl]cyclopropyl]methyl-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)COC2=CC(=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])NC(=O)O

DOS

IR

Vibrations