Geometry & MOs

Info

ID:	151744
PubChem CID:	56310420
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	-162.7
Dipole, Da:	5.95
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations