Geometry & MOs

Info

ID:	348782
PubChem CID:	127273893
Reduced:	BrO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	396.10486
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	2.67
IP(EA), eV:	-8.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methoxyphenyl)-4-cyclopentyloxypiperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)NC2CCN3C2CCCC3)Br

DOS

IR

Vibrations