Geometry & MOs

Info

ID:	152877
PubChem CID:	56311957
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	418.258006
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	6.13
IP(EA), eV:	-8.29(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C2=CC=CC=C2)C(=O)NC(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations