Geometry & MOs

Info

ID:	242793
PubChem CID:	99206360
Reduced:	FO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	488.242356
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	2.72
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2NC(=O)CCNC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations