Geometry & MOs

Info

ID:	284278
PubChem CID:	104039324
Reduced:	BrClN2O2H8C12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	3.8
IP(EA), eV:	-8.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)C(=O)NC2=CC(=C(C=C2)O)Cl

DOS

IR

Vibrations