Geometry & MOs

Info

ID:	187291
PubChem CID:	77555204
Reduced:	SN2O4C23H32 (1)
Stoich.:	AB2C4D23E32 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-181.61
Dipole, Da:	8.1
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-4-methylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CSC2=C1CCOC2NC(=O)C34CC5CC(C3)CC4C5)CO

DOS

IR

Vibrations