Geometry & MOs

Info

ID:	76261
PubChem CID:	48424694
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	382.12559
ΔH_f, kcal/mol:	-85.93
Dipole, Da:	4.18
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)-N-[2-(dimethylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCCN(CC2)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations