Geometry & MOs

Info

ID:	41682
PubChem CID:	8146793
Reduced:	ON3C23H30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	414.218152
ΔH_f, kcal/mol:	5.74
Dipole, Da:	7.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768766
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-ethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH2+][C@@H](C3=CC=C(C=C3)C(C)C)C(C)C

DOS

IR

Vibrations