Geometry & MOs

Info

ID:	403568
PubChem CID:	135060891
Reduced:	BNSO3C17H34 (1)
Stoich.:	ABCD3E17F34 (1)
Weight, g/mol:	317.21435
ΔH_f, kcal/mol:	-245.53
Dipole, Da:	5.39
IP(EA), eV:	-8.15(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-1-[2,6-di(propan-2-yl)phenyl]indole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@H](C2CCCCC2)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations