Geometry & MOs

Info

ID:	439164
PubChem CID:	135228929
Reduced:	PO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	502.330777
ΔH_f, kcal/mol:	-166.03
Dipole, Da:	2.06
IP(EA), eV:	-9.56(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[4-[2-(cyclopropylmethylamino)-1-methyl-2H-pyrimidin-5-yl]-5-ethyl-2-(3-methylbutyl)phenyl]-4-methylidene-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COP(CC(=O)C1CCC(=C)CC1)O

DOS

IR

Vibrations