Geometry & MOs

Info

ID:	377175
PubChem CID:	134223213
Reduced:	ON5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	481.251398
ΔH_f, kcal/mol:	65.44
Dipole, Da:	6.48
IP(EA), eV:	-8.81(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]-2-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-5-fluoropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1C2=NN=NN2C3=C(O1)C=CC(=C3)N

DOS

IR

Vibrations