Geometry & MOs

Info

ID:	186365
PubChem CID:	77425183
Reduced:	N6C27H32 (1)
Stoich.:	A6B27C32 (1)
Weight, g/mol:	529.310456
ΔH_f, kcal/mol:	85.14
Dipole, Da:	3.69
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopentylamino)cyclohexa-2,4-dien-1-yl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5CN=C(N5)C6CCCN6

DOS

IR

Vibrations