Geometry & MOs

Info

ID:	170890
PubChem CID:	75294964
Reduced:	IO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	468.04734
ΔH_f, kcal/mol:	-118.5
Dipole, Da:	3.08
IP(EA), eV:	-9.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-3-(3-bromophenyl)-1-(1H-indole-3-carbonyl)cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC=C(CCCI)CCC(=O)OC(C)(C)C

DOS

IR

Vibrations