Geometry & MOs

Info

ID:	144570
PubChem CID:	53386641
Reduced:	IN2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	350.178299
ΔH_f, kcal/mol:	102.91
Dipole, Da:	1.62
IP(EA), eV:	-8.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[2-[2-(3-methylindol-1-yl)phenyl]ethynyl]aniline

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N4C2=CC=C4)I

DOS

IR

Vibrations