Geometry & MOs

Info

ID:	309216
PubChem CID:	126540477
Reduced:	FN4O5C29H31 (1)
Stoich.:	AB4C5D29E31 (1)
Weight, g/mol:	426.267114
ΔH_f, kcal/mol:	-160.47
Dipole, Da:	3.9
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-ethyl-2-[(2-methylprop-2-enylamino)methyl]-4-(2-phenylethyl)phenyl]-5-prop-1-en-2-yl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)CC(=O)/C=C/C(=O)/C=C/C4=CC=CC=C4)F

DOS

IR

Vibrations