Geometry & MOs

Info

ID:	252145
PubChem CID:	103109425
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	314.114568
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	4.17
IP(EA), eV:	-9.73(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2(CCCCC2)N

DOS

IR

Vibrations