Geometry & MOs

Info

ID:	340734
PubChem CID:	127262745
Reduced:	NPC19H24 (1)
Stoich.:	ABC19D24 (1)
Weight, g/mol:	343.206502
ΔH_f, kcal/mol:	4.93
Dipole, Da:	1.83
IP(EA), eV:	-8.1(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-dicyclohexylphosphorylethynyl)-N-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N[C@@H]2CCCC[P@]2C3=CC=CC=C3)C

DOS

IR

Vibrations