Geometry & MOs

Info

ID:

448631

PubChem CID:

135292369

Reduced:

NO4C22H23 (1)

Stoich.:

AB4C22D23 (1)

Weight, g/mol:

515.335922

ΔHf, kcal/mol:

-79.57

Dipole, Da:

8.36

IP(EA), eV:

 -8.31(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(1R,3aS,4R,7aR)-4-(2-aminoethyl)-3a-hydroxy-7a-methyl-1-(6-oxopyran-3-yl)-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]-4-methylcyclohexyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C=CC3=C(C2=CCC1)C(=O)C(=O)C4=C3OC(=C4C)CN(C)CCO

DOS

IR

Vibrations