Geometry & MOs

Info

ID:	252484
PubChem CID:	103111726
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	5.3
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(4-chlorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC=CC(=N1)OC(C)C

DOS

IR

Vibrations