Geometry & MOs

Info

ID:	233725
PubChem CID:	92093096
Reduced:	OCl2N4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	304.132411
ΔH_f, kcal/mol:	36.09
Dipole, Da:	7.62
IP(EA), eV:	-9.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-[(2-pyridin-4-ylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=CC=NC=C2)CNC(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations