Geometry & MOs

Info

ID:	376956
PubChem CID:	134222991
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	1.7
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](C2=C(CO1)C=CC3=CC=CC=C32)N

DOS

IR

Vibrations