Geometry & MOs

Info

ID:	312315
PubChem CID:	126604254
Reduced:	NC4H9 (3)
Stoich.:	AB4C9 (3)
Weight, g/mol:	520.316189
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	2.66
IP(EA), eV:	-8.53(2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[5-[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCCN1CCCCC1)CCN

DOS

IR

Vibrations