Geometry & MOs

Info

ID:	307507
PubChem CID:	125307243
Reduced:	BrON4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	464.12117
ΔH_f, kcal/mol:	145.99
Dipole, Da:	7.47
IP(EA), eV:	-9.09(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-3-[(Z)-[(2R)-3-(4-tert-butylphenyl)-2-methylpropylidene]amino]-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=C(C=C1)C(C)(C)C)/C=N\N2CN=C3C4=C(C=CC(=C4)Br)N=C3C2=O

DOS

IR

Vibrations