Geometry & MOs

Info

ID:	186144
PubChem CID:	77396103
Reduced:	O3N6C33H34 (1)
Stoich.:	A3B6C33D34 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	15.95
Dipole, Da:	10.1
IP(EA), eV:	-8.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydroxy-6-methylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)C)C#N)NC(=O)C=CC5CCCN5C

DOS

IR

Vibrations