Geometry & MOs

Info

ID:	414225
PubChem CID:	135087181
Reduced:	NH13C14 (2)
Stoich.:	AB13C14 (2)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	140.53
Dipole, Da:	2.51
IP(EA), eV:	-8.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-methyl-N-prop-2-ynylindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C#CC4=CC=CC=C4

DOS

IR

Vibrations