Geometry & MOs

Info

ID:	48379
PubChem CID:	10542759
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	309.209264
ΔH_f, kcal/mol:	-49.0
Dipole, Da:	3.88
IP(EA), eV:	-8.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]phenol

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations