Geometry & MOs

Info

ID:	67793
PubChem CID:	46507176
Reduced:	ClOSN4C15H15 (1)
Stoich.:	ABCD4E15F15 (1)
Weight, g/mol:	305.116427
ΔH_f, kcal/mol:	18.12
Dipole, Da:	4.6
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)NC(=S)N(C2=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations