Geometry & MOs

Info

ID:	419350
PubChem CID:	135108018
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	307.1606
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	2.47
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-N-methyl-N-(oxan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCN(C)C1(CCCCC1)CNC2=NOC(=C2C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations