Geometry & MOs

Info

ID:	201182
PubChem CID:	79502033
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	194.035924
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	4.41
IP(EA), eV:	-9.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)triazol-4-amine

Drug info:

PubChemData

Smile

CCNCC1=NC(=O)C(C(=O)N1)(C)C

DOS

IR

Vibrations