Geometry & MOs

Info

ID:	52038
PubChem CID:	12014812
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	197.120449
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	0.94
IP(EA), eV:	-9.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-phenylethyl]-N-prop-2-ynylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=CC=CC=C1)OC(=O)C(CC#C)CC#C

DOS

IR

Vibrations