Geometry & MOs

Info

ID:	144125
PubChem CID:	53317209
Reduced:	O3N6C22H32 (1)
Stoich.:	A3B6C22D32 (1)
Weight, g/mol:	378.231871
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	6.68
IP(EA), eV:	-9.29(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[[2-(3-fluorophenyl)acetyl]amino]propan-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CNC(=O)CC1=CC=C(C=C1)N2C=NN=N2)C3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations