Geometry & MOs

Info

ID:	152205
PubChem CID:	56311086
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-161.83
Dipole, Da:	1.63
IP(EA), eV:	-8.73(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations