Geometry & MOs

Info

ID:	171870
PubChem CID:	75435361
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	46.22
Dipole, Da:	3.71
IP(EA), eV:	-8.8(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(dimethylamino)-N-methylanilino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CN2CCN(CC2)CC3=CN=CC=C3

DOS

IR

Vibrations