Geometry & MOs

Info

ID:	185344
PubChem CID:	77287910
Reduced:	S2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	4.36
IP(EA), eV:	-8.52(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[3-(methoxymethyl)piperidin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CC=CC=C1NCC2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O

DOS

IR

Vibrations