Geometry & MOs

Info

ID:	442819
PubChem CID:	135256427
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	425.196408
ΔH_f, kcal/mol:	-145.1
Dipole, Da:	2.59
IP(EA), eV:	-9.91(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]pyrazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=N1)CO)OCC(=O)OC

DOS

IR

Vibrations