Geometry & MOs

Info

ID:	49916
PubChem CID:	11538094
Reduced:	BrO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-88.91
Dipole, Da:	2.13
IP(EA), eV:	-8.61(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-amino-3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1C(CC(O1)C2=CC=CC=C2Br)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations