Geometry & MOs

Info

ID:	305575
PubChem CID:	124960716
Reduced:	N2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	492.199127
ΔH_f, kcal/mol:	26.07
Dipole, Da:	5.01
IP(EA), eV:	-8.56(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1)C)CN2CCC[C@H](C2)CC3=CN=CC=C3

DOS

IR

Vibrations