Geometry & MOs

Info

ID:	163421
PubChem CID:	57939458
Reduced:	O2N3F7H28C30 (1)
Stoich.:	A2B3C7D28E30 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-391.56
Dipole, Da:	6.55
IP(EA), eV:	-9.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@@H]2C[C@H](CCN2C(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations