Geometry & MOs

Info

ID:	1026
PubChem CID:	3682
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-103.45
Dipole, Da:	0.75
IP(EA), eV:	-8.47(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

Drug info:

PubChemData

Smile

CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O

DOS

IR

Vibrations