Geometry & MOs

Info

ID:	81601
PubChem CID:	49854910
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	304.157563
ΔH_f, kcal/mol:	-4.16
Dipole, Da:	3.74
IP(EA), eV:	-8.3(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(dimethylamino)phenyl]methyl]-3-prop-2-ynyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2NC1=O)CC3=CC=C(C=C3)NC

DOS

IR

Vibrations