Geometry & MOs

Info

ID:	411303
PubChem CID:	135084116
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	4.28
IP(EA), eV:	-9.55(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-hydroxyprop-1-ynyl)pyridin-3-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](CO)N(CC=C)C(=O)C

DOS

IR

Vibrations