Geometry & MOs

Info

ID:	377168
PubChem CID:	134223206
Reduced:	NC9H15 (2)
Stoich.:	AB9C15 (2)
Weight, g/mol:	509.282698
ΔH_f, kcal/mol:	8.0
Dipole, Da:	5.27
IP(EA), eV:	-10.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-cyclopropyl-2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-5-fluoro-4-N-(5,5,8-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCC)C=C(C#N)C#N

DOS

IR

Vibrations