Geometry & MOs

Info

ID:	252814
PubChem CID:	103114308
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	41.2
Dipole, Da:	5.34
IP(EA), eV:	-9.19(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-[(6-methylpyridin-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CN2C=NC=C2C3CCNC3

DOS

IR

Vibrations