Geometry & MOs

Info

ID:	131214
PubChem CID:	51176175
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-120.17
Dipole, Da:	2.14
IP(EA), eV:	-9.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CC2=CC=CC=C2C(=O)O1

DOS

IR

Vibrations