Geometry & MOs

Info

ID:	163784
PubChem CID:	74374253
Reduced:	Cl2O2N5C26H29 (1)
Stoich.:	A2B2C5D26E29 (1)
Weight, g/mol:	400.29506
ΔH_f, kcal/mol:	-10.19
Dipole, Da:	3.95
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-propyl-3,3a,4,5,6,7a-hexahydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CN2CCCC2CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl

DOS

IR

Vibrations