Geometry & MOs

Info

ID:	236904
PubChem CID:	92715586
Reduced:	ClO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-30.29
Dipole, Da:	3.73
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-(4-methoxyphenyl)imino-3,3-dimethyl-1-(4-methylphenyl)-4-piperidin-1-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1([C@@H](C(=NC2=CC=C(C=C2)OC)N(C1=O)C3=CC=C(C=C3)Cl)N4CCCC4)C

DOS

IR

Vibrations