Geometry & MOs

Info

ID:	138604
PubChem CID:	52392656
Reduced:	ON2C8H16 (2)
Stoich.:	AB2C8D16 (2)
Weight, g/mol:	266.145285
ΔH_f, kcal/mol:	-124.56
Dipole, Da:	5.43
IP(EA), eV:	-8.48(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)N(CCNC(=O)[C@H]1CCCN(C1)CC(=O)N)C(C)C

DOS

IR

Vibrations