Geometry & MOs

Info

ID:	41678
PubChem CID:	8146783
Reduced:	ClON3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	412.223631
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	6.7
IP(EA), eV:	-9.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[[(4S)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-ethylazanium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations