Geometry & MOs

Info

ID:	233357
PubChem CID:	89852654
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	410.198573
ΔH_f, kcal/mol:	-161.48
Dipole, Da:	8.62
IP(EA), eV:	-8.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[[(7R,8aR)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-chloropyrimidin-2-yl]amino]-2-methylbenzonitrile

Drug info:

PubChemData

Smile

CCN(C)C(=O)OC1=CC2=C(C=C1)C(CN2C)CCC(=O)O

DOS

IR

Vibrations