Geometry & MOs

Info

ID:	364727
PubChem CID:	127316033
Reduced:	ON7C18H23 (1)
Stoich.:	AB7C18D23 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	50.03
Dipole, Da:	4.99
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations