Geometry & MOs

Info

ID:	157812
PubChem CID:	56437413
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	7.56
IP(EA), eV:	-9.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCCNC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations