Geometry & MOs

Info

ID:	189231
PubChem CID:	77830392
Reduced:	N3O7C23H27 (1)
Stoich.:	A3B7C23D27 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-229.86
Dipole, Da:	7.07
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[carboxy-(1-methylcyclopropyl)methylidene]cyclohexa-2,4-dien-1-yl]pent-2-enoic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=CN=C2N=C1C)NC3=CC=C(C=C3)OC4C(C(C(OC4O)CO)O)O

DOS

IR

Vibrations