Geometry & MOs

Info

ID:	216479
PubChem CID:	85086295
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-103.12
Dipole, Da:	4.58
IP(EA), eV:	-9.4(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[2-(dimethylamino)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC2(CC(C(=O)O2)OCC3=CC=CC=C3)C=C1

DOS

IR

Vibrations