Geometry & MOs

Info

ID:	445259
PubChem CID:	135265614
Reduced:	ON2C34H42 (1)
Stoich.:	AB2C34D42 (1)
Weight, g/mol:	397.176582
ΔH_f, kcal/mol:	13.21
Dipole, Da:	3.29
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-5-[4-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1H-imidazol-2-yl]pyridine

Drug info:

PubChemData

Smile

CCC/C=C(/C1=CC=CC=C1)\NC(=C)C2=CC=C(C=C2)C3=CN=C(C=C3C)CCC(C)(C)/C(=C/CC)/O

DOS

IR

Vibrations