Geometry & MOs

Info

ID:	42926
PubChem CID:	10317179
Reduced:	O3H24C25 (1)
Stoich.:	A3B24C25 (1)
Weight, g/mol:	372.018081
ΔH_f, kcal/mol:	-62.2
Dipole, Da:	0.3
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)OCCCCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations