Geometry & MOs

Info

ID:	162555
PubChem CID:	57395049
Reduced:	ClN2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	280.028252
ΔH_f, kcal/mol:	7.85
Dipole, Da:	3.69
IP(EA), eV:	-8.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole

Drug info:

PubChemData

Smile

CC1C2CN(CCC2CC3=C1C4=C(N3)C=CC=C4Cl)C

DOS

IR

Vibrations