Geometry & MOs

Info

ID:	335665
PubChem CID:	127254527
Reduced:	FNO6H28C36 (1)
Stoich.:	ABC6D28E36 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	6.96
IP(EA), eV:	-8.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-yl)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC(=CC=C7)OC)OC

DOS

IR

Vibrations