Geometry & MOs

Info

ID:	205996
PubChem CID:	80187563
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	9.2
IP(EA), eV:	-9.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-nitrophenyl]methanone

Drug info:

PubChemData

Smile

CCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(C2)(C)C

DOS

IR

Vibrations