Geometry & MOs

Info

ID:	308379
PubChem CID:	125326702
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	474.263091
ΔH_f, kcal/mol:	56.33
Dipole, Da:	3.23
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-(4-decoxyphenyl)methylideneamino]-8-methoxy-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

C1CN(C[C@@H]2C1=C3C=CC=CC3=N2)C(=O)CCCNC4=NC=CC=N4

DOS

IR

Vibrations