Geometry & MOs

Info

ID:	129169
PubChem CID:	51071831
Reduced:	N3O4C28H33 (1)
Stoich.:	A3B4C28D33 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-131.1
Dipole, Da:	4.92
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-benzamidocyclohexyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2CCC(CC2)NC(=O)[C@@H]3CCCN3C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations