Geometry & MOs

Info

ID:	448460
PubChem CID:	135291077
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	9.23
IP(EA), eV:	-8.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(C=C2)N4CCCCC4)C=CC=N3

DOS

IR

Vibrations