Geometry & MOs

Info

ID:	262760
PubChem CID:	103314813
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	193.157898
ΔH_f, kcal/mol:	37.8
Dipole, Da:	3.87
IP(EA), eV:	-8.76(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-3-methyl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CN=C3NCCN3C2

DOS

IR

Vibrations