Geometry & MOs

Info

ID:	189403
PubChem CID:	77850006
Reduced:	ClNF2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-193.62
Dipole, Da:	1.78
IP(EA), eV:	-9.61(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1CN(CCC1(C)O)C(=O)CC2=C(C=CC(=C2F)Cl)F

DOS

IR

Vibrations