Geometry & MOs

Info

ID:	418064
PubChem CID:	135103454
Reduced:	O2F3N3C21H22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	385.19209
ΔH_f, kcal/mol:	-155.6
Dipole, Da:	8.11
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C

DOS

IR

Vibrations