Geometry & MOs

Info

ID:	132733
PubChem CID:	51409113
Reduced:	FO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	379.177016
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	7.32
IP(EA), eV:	-9.3(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-methoxy-4-oxo-3-[(Z)-[(1R,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methylideneamino]-5H-pyrimido[5,4-b]indol-2-olate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C3C(=NC(=O)N(C3=O)C)N2C4CCC(CC4)F)C5CCCCC5

DOS

IR

Vibrations