Geometry & MOs

Info

ID:	228653
PubChem CID:	87565489
Reduced:	NH21C23 (1)
Stoich.:	AB21C23 (1)
Weight, g/mol:	235.1361
ΔH_f, kcal/mol:	230.67
Dipole, Da:	2.35
IP(EA), eV:	-9.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-N-(1-phenylethyl)prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(C#C)C2=CC=CC=C2.C1=CC2=CC2=C1

DOS

IR

Vibrations