Geometry & MOs

Info

ID:	168846
PubChem CID:	75027044
Reduced:	BrN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	437.95375
ΔH_f, kcal/mol:	-27.85
Dipole, Da:	5.52
IP(EA), eV:	-9.4(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-bromo-2-hydroxyphenyl)-4-(2,5-dichlorophenyl)-2-oxopiperidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2CC(NC(=O)C2C#N)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations