Geometry & MOs

Info

ID:	17407
PubChem CID:	496523
Reduced:	N3O5C14H15 (1)
Stoich.:	A3B5C14D15 (1)
Weight, g/mol:	305.101171
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	5.45
IP(EA), eV:	-9.91(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-3-nitro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Drug info:

PubChemData

Smile

COCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N3CCCC3C1=O

DOS

IR

Vibrations