Geometry & MOs

Info

ID:	253387
PubChem CID:	103118091
Reduced:	O2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	4.26
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-pyridin-4-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CNC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations