Geometry & MOs

Info

ID:	324820
PubChem CID:	126678406
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	150.104465
ΔH_f, kcal/mol:	24.24
Dipole, Da:	6.66
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3,4,7,8-tetrahydro-1H-isochromene

Drug info:

PubChemData

Smile

CC(C)C1=NN(C2=NC=NC(=C12)N)[C@@H]3CCCN(C3)C(=O)C=C

DOS

IR

Vibrations