Geometry & MOs

Info

ID:	168845
PubChem CID:	75026789
Reduced:	F2N4O4C25H26 (1)
Stoich.:	A2B4C4D25E26 (1)
Weight, g/mol:	398.06299
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	6.42
IP(EA), eV:	-8.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)F)NC3=C(C(=O)C3=O)NC)CC4=CC=C(C=C4)F

DOS

IR

Vibrations