Geometry & MOs

Info

ID:	174028
PubChem CID:	75713322
Reduced:	N2O3C13H16 (2)
Stoich.:	A2B3C13D16 (2)
Weight, g/mol:	522.247835
ΔH_f, kcal/mol:	-155.04
Dipole, Da:	9.04
IP(EA), eV:	-9.6(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations