Geometry & MOs

Info

ID:	152112
PubChem CID:	56310972
Reduced:	FO2N5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	422.256943
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	4.5
IP(EA), eV:	-9.13(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl(1-phenylethyl)amino]-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C3=CC=C(C=C3)F)C(C)C)CC

DOS

IR

Vibrations