Geometry & MOs

Info

ID:	203464
PubChem CID:	79835170
Reduced:	NOSC15H17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-8.67
Dipole, Da:	11.49
IP(EA), eV:	-8.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCCC2=C1NC(=C3C=CC(=O)C=C3)S2)C

DOS

IR

Vibrations