Geometry & MOs

Info

ID:	439168
PubChem CID:	135228933
Reduced:	N2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	373.215413
ΔH_f, kcal/mol:	53.51
Dipole, Da:	5.02
IP(EA), eV:	-8.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(3-methylbutyl)-4-(2-methylpyrimidin-5-yl)phenyl]-4-methylidene-1H-pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CCC[C@H]1C2=CC=CC=C2C3=CN=CN13

DOS

IR

Vibrations