Geometry & MOs

Info

ID:	57912
PubChem CID:	24278461
Reduced:	NSO4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-117.28
Dipole, Da:	1.99
IP(EA), eV:	-8.49(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(S/C(=C/2\C=CC=C(C2=O)OC)/N1)C(=O)O

DOS

IR

Vibrations