Geometry & MOs

Info

ID:	59541
PubChem CID:	24875272
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	387.03711
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	2.92
IP(EA), eV:	-9.06(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-amino-1-(3-bromophenyl)isoindol-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1(CCC(=CC1)C2=C(C=CC(=C2)C3(CCOCC3)N)NC(=O)C4=NC=C(N4)C#N)C

DOS

IR

Vibrations