Geometry & MOs

Info

ID:	300574
PubChem CID:	121360586
Reduced:	N2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	524.444075
ΔH_f, kcal/mol:	38.76
Dipole, Da:	3.48
IP(EA), eV:	-9.33(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,9R,11R)-9,11-dihydroxy-2,4-dimethyl-3-oxotriacont-4-enoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)[C@H]2C[C@@H]2N

DOS

IR

Vibrations