Geometry & MOs

Info

ID:	363688
PubChem CID:	127313306
Reduced:	BrON5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	34.22
Dipole, Da:	9.62
IP(EA), eV:	-8.58(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations