Geometry & MOs

Info

ID:	180792
PubChem CID:	76686542
Reduced:	NO6C42H75 (1)
Stoich.:	AB6C42D75 (1)
Weight, g/mol:	479.232125
ΔH_f, kcal/mol:	-354.84
Dipole, Da:	3.86
IP(EA), eV:	-8.99(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[3-amino-3-[4-(anilinomethyl)phenyl]prop-2-enoyl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one

Drug info:

PubChemData

Smile

CCCCCCC=CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCC=CCCCCCC)OC(=O)CCN(C)C1CC1

DOS

IR

Vibrations