Geometry & MOs

Info

ID:	81689
PubChem CID:	49855016
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	3.99
IP(EA), eV:	-8.1(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1-prop-2-ynylindol-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CC(C2=CC=CC=C21)(CC3=CC=C(C=C3)N(C)C)OC

DOS

IR

Vibrations