Geometry & MOs

Info

ID:	318596
PubChem CID:	126652185
Reduced:	IO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	397.05899
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	3.45
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-N-cyclobutyl-3-fluoroanilino)-3-methyl-1H-indole-6-carbonitrile

Drug info:

PubChemData

Smile

CC1(OC2C(C=C(C2O1)CO)N3C=C(C4=C(N=CN=C43)N)I)C

DOS

IR

Vibrations