Geometry & MOs

Info

ID:	290394
PubChem CID:	104448214
Reduced:	O3N5C12H21 (1)
Stoich.:	A3B5C12D21 (1)
Weight, g/mol:	295.094836
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	5.75
IP(EA), eV:	-10.33(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-hydrazinyl-N-[3-(triazol-1-yl)propyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)O)NC(=O)NCCCN1C=CN=N1

DOS

IR

Vibrations