Geometry & MOs

Info

ID:	217016
PubChem CID:	85087123
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-48.89
Dipole, Da:	6.17
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-[2-(1-methyl-6-oxopyridin-3-yl)prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CCCCOC=CC1=C(C(=O)N2CC3=C(C2=C1)N=C(C(=C3)C)C)C

DOS

IR

Vibrations