Geometry & MOs

Info

ID:	186792
PubChem CID:	77485260
Reduced:	N2O5C11H16 (1)
Stoich.:	A2B5C11D16 (1)
Weight, g/mol:	501.357994
ΔH_f, kcal/mol:	-184.39
Dipole, Da:	6.52
IP(EA), eV:	-9.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[9-[(1-ethylpiperidin-4-yl)amino]-3-bicyclo[3.3.1]nonanyl]methylamino]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN2C(COC2=NC1=O)OC(CO)C(C)O

DOS

IR

Vibrations