Geometry & MOs

Info

ID:	197461
PubChem CID:	78967241
Reduced:	SN4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	329.95192
ΔH_f, kcal/mol:	53.28
Dipole, Da:	7.94
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)C2=NC=C(N=C2)C(=S)N

DOS

IR

Vibrations