Geometry & MOs

Info

ID:	413760
PubChem CID:	135086710
Reduced:	N3O4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-113.11
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.879882
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-ethoxy-3-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-1-olate

Drug info:

PubChemData

Smile

CCO/C(=C(/C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)\[N+]#N)/O

DOS

IR

Vibrations