Geometry & MOs

Info

ID:	152861
PubChem CID:	56311940
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	472.304956
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	8.05
IP(EA), eV:	-8.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC=C(O2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations