Geometry & MOs

Info

ID:	162521
PubChem CID:	57394936
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	412.35526
ΔH_f, kcal/mol:	58.62
Dipole, Da:	2.65
IP(EA), eV:	-7.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hydroxy-3,3-dimethyl-4-oxohenicosyl] acetate

Drug info:

PubChemData

Smile

CNC1=C2C(=C3C=C(NC3=N1)C4=NC(=CC=C4)N(C)CCOC)N(C=N2)C

DOS

IR

Vibrations