Geometry & MOs

Info

ID:	433329
PubChem CID:	135173466
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	470.289306
ΔH_f, kcal/mol:	-103.46
Dipole, Da:	8.16
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyanophenyl)ethyl]-1-[3,3-dimethyl-2-(2-methylpentanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=CC1COC2=CC=CC=C2C(=O)N1)C3=CC4=C(C=C3)OCCNC4=O

DOS

IR

Vibrations