Geometry & MOs

Info

ID:	59474
PubChem CID:	24875022
Reduced:	F3N4O4C25H31 (1)
Stoich.:	A3B4C4D25E31 (1)
Weight, g/mol:	448.143282
ΔH_f, kcal/mol:	-292.63
Dipole, Da:	11.27
IP(EA), eV:	-8.73(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C(=O)NC2=C(C=C(C=C2)CCN3CCOCC3)C4=CCCCC4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations