Geometry & MOs

Info

ID:	142391
PubChem CID:	53028117
Reduced:	ClN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	430.084411
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	5.67
IP(EA), eV:	-8.52(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations