Geometry & MOs

Info

ID:	276121
PubChem CID:	103820728
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	175.120843
ΔH_f, kcal/mol:	-51.25
Dipole, Da:	6.11
IP(EA), eV:	-9.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-hydroxypropan-2-yl]-2-propoxyacetamide

Drug info:

PubChemData

Smile

C[C@@H](CO)NC(=O)CC1=CC=C(C=C1)C#N

DOS

IR

Vibrations