Geometry & MOs

Info

ID:	242773
PubChem CID:	99206182
Reduced:	O2N5C27H37 (1)
Stoich.:	A2B5C27D37 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	5.14
IP(EA), eV:	-8.23(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4CCC[C@@H](C4)C(=O)N

DOS

IR

Vibrations