Geometry & MOs

Info

ID:	259126
PubChem CID:	103158286
Reduced:	BrN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-169.93
Dipole, Da:	4.6
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCC(CC(=O)O)OC)Br

DOS

IR

Vibrations