Geometry & MOs

Info

ID:	342291
PubChem CID:	127265068
Reduced:	O3N5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	43.06
Dipole, Da:	6.28
IP(EA), eV:	-9.03(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(3-nitrophenyl)acetyl]pyrrolidin-2-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=N2)C=CC3=NC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations