Geometry & MOs

Info

ID:	343231
PubChem CID:	127266404
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-95.14
Dipole, Da:	0.57
IP(EA), eV:	-8.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(methyl)amino]-N-[3-(5-oxo-1H-1,2,4-triazol-4-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C2=CC=C(C=C2)NC(=O)C(C)OCC3CCCO3

DOS

IR

Vibrations