Geometry & MOs

Info

ID:	180989
PubChem CID:	76713792
Reduced:	N2O4C31H46 (1)
Stoich.:	A2B4C31D46 (1)
Weight, g/mol:	480.31635
ΔH_f, kcal/mol:	-170.68
Dipole, Da:	3.19
IP(EA), eV:	-8.82(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-4-cyclohexyl-1-[3-[(2,4-difluorophenyl)-(3-methoxypropoxy)methyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2=CC=CC=C2C(CCCCOC)(C3CCCN(C3)C(=O)CC(C)(C)CNC)O

DOS

IR

Vibrations