Geometry & MOs

Info

ID:	73979
PubChem CID:	48421305
Reduced:	ClFON6C19H22 (1)
Stoich.:	ABCD6E19F22 (1)
Weight, g/mol:	401.141866
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	6.29
IP(EA), eV:	-9.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N(CCCN2C=CN=C2)CC3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations