Geometry & MOs

Info

ID:	251155
PubChem CID:	103101803
Reduced:	O2N3C10H21 (1)
Stoich.:	A2B3C10D21 (1)
Weight, g/mol:	280.164774
ΔH_f, kcal/mol:	-116.29
Dipole, Da:	3.27
IP(EA), eV:	-8.93(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(C)CC(=O)N(CC)CC(=O)N

DOS

IR

Vibrations