Geometry & MOs

Info

ID:	172617
PubChem CID:	75530694
Reduced:	ON2C9H22 (1)
Stoich.:	AB2C9D22 (1)
Weight, g/mol:	173.091275
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	2.54
IP(EA), eV:	-8.43(2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrate

Drug info:

PubChemData

Smile

CNCCN1CCCCCC1.O

DOS

IR

Vibrations