Geometry & MOs

Info

ID:	246035
PubChem CID:	103036865
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	291.256215
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	2.11
IP(EA), eV:	-8.77(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-5-methoxy-5-methyl-2-(3-methylphenyl)hexan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CCC(C)(C)OC)CNCCOC

DOS

IR

Vibrations