Geometry & MOs

Info

ID:	152967
PubChem CID:	56312070
Reduced:	N5O5C23H27 (1)
Stoich.:	A5B5C23D27 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-124.06
Dipole, Da:	5.12
IP(EA), eV:	-8.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(5-nitrothiophen-3-yl)methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNN2C1=NC(=CC2=O)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations