Geometry & MOs

Info

ID:	187452
PubChem CID:	77573242
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	402.31071
ΔH_f, kcal/mol:	81.77
Dipole, Da:	3.43
IP(EA), eV:	-8.84(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-[(4,4-dimethyl-1-piperidin-4-ylpentyl)amino]-1-methyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C2N=NC(=S)N2CC3=CC=C(C=C3)OCCCN4C=CC=C4)C=CC1=O

DOS

IR

Vibrations