Geometry & MOs

Info

ID:	57771
PubChem CID:	24277209
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	316.110919
ΔH_f, kcal/mol:	-91.59
Dipole, Da:	4.18
IP(EA), eV:	-8.57(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminopiperidin-1-yl)-1-(3,4-dichlorophenyl)butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(CCCN2CCC(CC2)N)O

DOS

IR

Vibrations