Geometry & MOs

Info

ID:	140470
PubChem CID:	52703619
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	377.231456
ΔH_f, kcal/mol:	-113.72
Dipole, Da:	7.19
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-methoxy-4-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C(=O)CNC2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)F)Cl)C

DOS

IR

Vibrations