Geometry & MOs

Info

ID:	217471
PubChem CID:	85087871
Reduced:	ION5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	370.03169
ΔH_f, kcal/mol:	97.08
Dipole, Da:	5.13
IP(EA), eV:	-9.09(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenyl)-6-(2-hydroxyphenyl)-2-oxopiperidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC3C(=CN=N3)C(=O)N2)I

DOS

IR

Vibrations