Geometry & MOs

Info

ID:	356553
PubChem CID:	127291775
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	-90.19
Dipole, Da:	3.23
IP(EA), eV:	-8.71(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3(CCCC3)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations