Geometry & MOs

Info

ID:	197330
PubChem CID:	78952896
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	5.29
IP(EA), eV:	-9.12(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-phenylethyl]but-3-yn-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(C)C(=O)N(C)C

DOS

IR

Vibrations