Geometry & MOs

Info

ID:	152962
PubChem CID:	56312064
Reduced:	BrO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	8.53
Dipole, Da:	4.81
IP(EA), eV:	-8.72(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC3=NN=C(O3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations