Geometry & MOs

Info

ID:	399313
PubChem CID:	135039597
Reduced:	NOCl2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	210.079313
ΔH_f, kcal/mol:	-4.73
Dipole, Da:	2.18
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-2H-pyrimido[1,6-a]indol-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(O1)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations