Geometry & MOs

Info

ID:	75665
PubChem CID:	48423817
Reduced:	N2F3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-251.97
Dipole, Da:	3.64
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[6-(azepan-1-yl)pyridin-3-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations