Geometry & MOs

Info

ID:	315064
PubChem CID:	126624312
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	436.283826
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	1.66
IP(EA), eV:	-9.19(2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)amino]-3-(pyrimidin-4-ylmethylamino)benzoate

Drug info:

PubChemData

Smile

CCCCO[C@@H]1C(C2[C@H](C(N2)(O1)CC)C)C

DOS

IR

Vibrations