Geometry & MOs

Info

ID:	341759
PubChem CID:	127264452
Reduced:	N3O5C16H27 (1)
Stoich.:	A3B5C16D27 (1)
Weight, g/mol:	466.269239
ΔH_f, kcal/mol:	-248.86
Dipole, Da:	5.03
IP(EA), eV:	-9.4(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[2-(3,5-dimethylpiperazin-1-yl)acetyl]-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC(NC2=O)C(=O)OC

DOS

IR

Vibrations