Geometry & MOs

Info

ID:	282291
PubChem CID:	103921674
Reduced:	NO2C17H33 (1)
Stoich.:	AB2C17D33 (1)
Weight, g/mol:	277.240565
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	3.68
IP(EA), eV:	-8.83(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol

Drug info:

PubChemData

Smile

CCOC1CC(C12CCCCC2)NCC(C)(C)CCO

DOS

IR

Vibrations