Geometry & MOs

Info

ID:	75303
PubChem CID:	48423305
Reduced:	N2O2F3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-215.03
Dipole, Da:	2.76
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(F)(F)F)OCC3CC3

DOS

IR

Vibrations