Geometry & MOs

Info

ID:	277020
PubChem CID:	103826287
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	285.266779
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	2.89
IP(EA), eV:	-8.81(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-tert-butylcycloheptyl)amino]-4-methoxy-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

C1CC1COCCNCC2=COC3=CC=CC=C32

DOS

IR

Vibrations