Geometry & MOs

Info

ID:	24149
PubChem CID:	608069
Reduced:	ON4H14C18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	302.116761
ΔH_f, kcal/mol:	74.15
Dipole, Da:	1.35
IP(EA), eV:	-8.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylideneamino)-8-methyl-5H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)N=CC4=CC=CC=C4

DOS

IR

Vibrations