Geometry & MOs

Info

ID:	252123
PubChem CID:	103109282
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	3.86
IP(EA), eV:	-9.82(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(chloromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2(CCOCC2)N

DOS

IR

Vibrations