Geometry & MOs

Info

ID:	175691
PubChem CID:	75937578
Reduced:	FN2O2C21H28 (1)
Stoich.:	AB2C2D21E28 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-84.16
Dipole, Da:	7.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755006
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpiperidin-2-yl)methyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[NH+](C)CC(=O)NC(CC1=CC=C(C=C1)F)C2=CC=C(C=C2)OC

DOS

IR

Vibrations