Geometry & MOs

Info

ID:	174025
PubChem CID:	75713319
Reduced:	N3O6C28H37 (1)
Stoich.:	A3B6C28D37 (1)
Weight, g/mol:	537.283886
ΔH_f, kcal/mol:	-223.32
Dipole, Da:	1.66
IP(EA), eV:	-8.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC(=C(C=C1)OC)OC)N(C)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations