Geometry & MOs

Info

ID:	152495
PubChem CID:	56311433
Reduced:	O3N5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-74.18
Dipole, Da:	5.5
IP(EA), eV:	-8.44(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations