Geometry & MOs

Info

ID:	152191
PubChem CID:	56311064
Reduced:	N4O5C25H32 (1)
Stoich.:	A4B5C25D32 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-149.18
Dipole, Da:	8.34
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations