Geometry & MOs

Info

ID:	325404
PubChem CID:	126683097
Reduced:	ClN7C20H30 (1)
Stoich.:	AB7C20D30 (1)
Weight, g/mol:	457.235686
ΔH_f, kcal/mol:	43.91
Dipole, Da:	2.3
IP(EA), eV:	-8.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-3-azaspiro[5.5]undecan-3-yl]-2-cyclopropylethanone

Drug info:

PubChemData

Smile

CC(C)(C)CN1CC2CC(CC2C1)NC3=NC(=NC=C3Cl)NC4=CN(N=C4)C

DOS

IR

Vibrations