Geometry & MOs

Info

ID:	327649
PubChem CID:	126690627
Reduced:	ClO3N4C33H41 (1)
Stoich.:	AB3C4D33E41 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	6.49
IP(EA), eV:	-8.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxypropan-2-yl)-2-[(E)-1-(6-methyl-1,2-dihydropyridin-5-yl)but-1-enyl]phenol

Drug info:

PubChemData

Smile

CCN1C2C=C(C=CC2CN(CC1=O)C3CCN(C3)CC/C=C/4\C5=CC=CNC5OC6=C4C=C(C=C6)C(C)(C)O)Cl

DOS

IR

Vibrations