Geometry & MOs

Info

ID:	30274
PubChem CID:	841073
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	287.107005
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	4.96
IP(EA), eV:	-9.78(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluorobenzoyl)amino]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations