Geometry & MOs

Info

ID:	312894
PubChem CID:	126609557
Reduced:	N3O5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	332.116092
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	5.89
IP(EA), eV:	-8.94(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(8-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-14-yl)ethylideneamino] propanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=C(C3=CC=CC=C3N2C4=CC=C(C=C4)[N+](=O)[O-])C(/C(=N/OC(=O)C)/C)O

DOS

IR

Vibrations