Geometry & MOs

Info

ID:	442377
PubChem CID:	135251698
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	294.144222
ΔH_f, kcal/mol:	-115.92
Dipole, Da:	4.55
IP(EA), eV:	-8.7(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-(4-methylcyclohexyl)dibenzothiophene

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2CCCN(C2)C(=O)OC(C)(C)C)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations