Geometry & MOs

Info

ID:	73721
PubChem CID:	48420089
Reduced:	NOC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	366.03275
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	3.5
IP(EA), eV:	-10.4(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-[(4-bromobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OCCN2C=NC=N2)[N+](=O)[O-]

DOS

IR

Vibrations