Geometry & MOs

Info

ID:	123432
PubChem CID:	50847193
Reduced:	ClON3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	381.04767
ΔH_f, kcal/mol:	20.64
Dipole, Da:	2.22
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-[(2-phenylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCC2=C(N=CC=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations