Geometry & MOs

Info

ID:	342389
PubChem CID:	127265212
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	5.94
IP(EA), eV:	-8.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hydroxymethyl)pyridin-4-yl]-2,4-dimethylpent-4-enamide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NCC1=CC=CC=C1CN2CCCC2CO

DOS

IR

Vibrations