Geometry & MOs

Info

ID:	199911
PubChem CID:	79316713
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	252.169859
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	2.64
IP(EA), eV:	-9.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(OC)OC)NC(=O)C1=CN(N=N1)C2CNC2

DOS

IR

Vibrations