Geometry & MOs

Info

ID:	282330
PubChem CID:	103922411
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	2.84
IP(EA), eV:	-8.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(C)C1=C(C=CC(=C1)C)OC

DOS

IR

Vibrations