Geometry & MOs

Info

ID:	151862
PubChem CID:	56310680
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	482.264154
ΔH_f, kcal/mol:	-163.95
Dipole, Da:	7.38
IP(EA), eV:	-8.47(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations