Geometry & MOs

Info

ID:	346492
PubChem CID:	127270996
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	14.9
Dipole, Da:	4.13
IP(EA), eV:	-8.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)N3CCCC3CN4CCCC4)C

DOS

IR

Vibrations