Geometry & MOs

Info

ID:	125818
PubChem CID:	50940492
Reduced:	ON6H14C17 (1)
Stoich.:	AB6C14D17 (1)
Weight, g/mol:	434.303224
ΔH_f, kcal/mol:	59.77
Dipole, Da:	6.62
IP(EA), eV:	-8.27(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-3-methoxyphenyl)methyl (Z,12R)-12-hydroxyoctadec-9-enoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2C(=O)NC3=CN=C4C(=C3)C=CN4)C(=N1)N

DOS

IR

Vibrations