Geometry & MOs

Info

ID:	56402
PubChem CID:	17425331
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	345.16079
ΔH_f, kcal/mol:	-120.35
Dipole, Da:	5.95
IP(EA), eV:	-8.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N(C)CCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations