Geometry & MOs

Info

ID:	415963
PubChem CID:	135088968
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	17.02
Dipole, Da:	6.19
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-5,7-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CSC(=N4)N

DOS

IR

Vibrations