Geometry & MOs

Info

ID:	376957
PubChem CID:	134222992
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-31.25
Dipole, Da:	1.48
IP(EA), eV:	-9.01(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-7-methyl-1,3,4,5-tetrahydro-2-benzoxepin-5-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(COCC[C@H]2N)C=C1

DOS

IR

Vibrations