Geometry & MOs

Info

ID:	69543
PubChem CID:	47193721
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	278.093439
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	2.96
IP(EA), eV:	-8.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-3-(2-imidazol-1-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCCNC(=O)C(C)C)Cl

DOS

IR

Vibrations