Geometry & MOs

Info

ID:	142968
PubChem CID:	53125113
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	1.66
Dipole, Da:	5.11
IP(EA), eV:	-8.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-N-(2-methylpropyl)-5-pyridin-3-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations