Geometry & MOs

Info

ID:	43261
PubChem CID:	10320382
Reduced:	ON7C24H26 (1)
Stoich.:	AB7C24D26 (1)
Weight, g/mol:	428.257612
ΔH_f, kcal/mol:	54.46
Dipole, Da:	4.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977590
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(2,2-diphenylethyl)pyrrolidin-3-yl]-3-(2-ethyl-6-methylpyridin-4-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)C(=O)NC3=CC=C(C=C3)CNC4=NC(=[N+](C(=C4)C)C)N)N

DOS

IR

Vibrations