Geometry & MOs

Info

ID:	273754
PubChem CID:	103799532
Reduced:	NO4C10H21 (1)
Stoich.:	AB4C10D21 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-193.53
Dipole, Da:	5.93
IP(EA), eV:	-9.75(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOCCC(=O)NC(CCO)COC

DOS

IR

Vibrations