Geometry & MOs

Info

ID:	363680
PubChem CID:	127313298
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	362.188881
ΔH_f, kcal/mol:	10.73
Dipole, Da:	5.46
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)C3=C4CCCC4=NC5=CC=CC=C53

DOS

IR

Vibrations