Geometry & MOs

Info

ID:	152747
PubChem CID:	56311806
Reduced:	ClN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	421.272927
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	2.93
IP(EA), eV:	-8.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=CC4=C(C=C3Cl)OCCO4

DOS

IR

Vibrations