Geometry & MOs

Info

ID:	142390
PubChem CID:	53028116
Reduced:	BrO2N5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	412.093833
ΔH_f, kcal/mol:	-6.98
Dipole, Da:	5.09
IP(EA), eV:	-8.67(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)Br)C

DOS

IR

Vibrations