Geometry & MOs

Info

ID:	73740
PubChem CID:	48420282
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	384.088141
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	3.63
IP(EA), eV:	-9.37(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl (E)-3-[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations