Geometry & MOs

Info

ID:	335172
PubChem CID:	127254033
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	427.174336
ΔH_f, kcal/mol:	-25.42
Dipole, Da:	4.32
IP(EA), eV:	-8.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-11-[3-(3,4-dimethoxyphenyl)propanoyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2C3=CN(C4=CC=CC(=C43)NC5=C2C(=O)N(C5)C(=O)C)CCC(C)C

DOS

IR

Vibrations