Geometry & MOs

Info

ID:	24445
PubChem CID:	610349
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	2.35
IP(EA), eV:	-9.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[4-(2-pyridin-4-ylethenyl)benzoyl]amino]hexanoate

Drug info:

PubChemData

Smile

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)C=CC2=CC=NC=C2

DOS

IR

Vibrations