Geometry & MOs

Info

ID:	233703
PubChem CID:	92092950
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	349.09819
ΔH_f, kcal/mol:	-60.69
Dipole, Da:	6.88
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations