Geometry & MOs

Info

ID:	158421
PubChem CID:	56463614
Reduced:	BrON2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	334.207885
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	3.21
IP(EA), eV:	-8.9(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)sulfanyl-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CCCCC1=CC=C(C=C1)Br)N(C)C2CC2

DOS

IR

Vibrations