Geometry & MOs

Info

ID:	142389
PubChem CID:	53027758
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	493.11134
ΔH_f, kcal/mol:	-144.37
Dipole, Da:	4.86
IP(EA), eV:	-8.59(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-3-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C=C(C2=C1N(C(=O)N(C2=O)CC)C)C(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations