Geometry & MOs

Info

ID:	372591
PubChem CID:	131300410
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	1.52
IP(EA), eV:	-9.08(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-hydroxy-2-methyl-N-phenylpent-4-ynamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=C(C=C1)[C@](C)(CO)N

DOS

IR

Vibrations