Geometry & MOs

Info

ID:	48888
PubChem CID:	11528440
Reduced:	NSO2C7H15 (1)
Stoich.:	ABC2D7E15 (1)
Weight, g/mol:	177.15175
ΔH_f, kcal/mol:	-103.85
Dipole, Da:	1.87
IP(EA), eV:	-9.19(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpentan-2-yl)aniline

Drug info:

PubChemData

Smile

CCN[C@@H](CS)C(=O)OCC

DOS

IR

Vibrations