Geometry & MOs

Info

ID:	342914
PubChem CID:	127266077
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-130.52
Dipole, Da:	4.12
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C(C(C)NC(=O)OC(C)(C)C)C(=O)NNC1=CC=CC=N1

DOS

IR

Vibrations