Geometry & MOs

Info

ID:	75751
PubChem CID:	48423935
Reduced:	BrNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-47.22
Dipole, Da:	2.71
IP(EA), eV:	-9.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=CS1)Br)OCC2CC2

DOS

IR

Vibrations