Geometry & MOs

Info

ID:	352361
PubChem CID:	127283448
Reduced:	O2N7C17H21 (1)
Stoich.:	A2B7C17D21 (1)
Weight, g/mol:	385.186238
ΔH_f, kcal/mol:	30.93
Dipole, Da:	6.35
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C

DOS

IR

Vibrations