Geometry & MOs

Info

ID:	410083
PubChem CID:	135082872
Reduced:	N3C13H13 (1)
Stoich.:	A3B13C13 (1)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	78.79
Dipole, Da:	6.65
IP(EA), eV:	-9.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aS,9R,9aS)-1,5a-dimethyl-8-[(2R)-6-methylhept-5-en-2-yl]-7,8,9,9a-tetrahydro-6H-3-benzoxepin-9-ol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN=N2)C3=CC=CC=C3

DOS

IR

Vibrations