Geometry & MOs

Info

ID:	302888
PubChem CID:	124398034
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	163.099714
ΔH_f, kcal/mol:	49.38
Dipole, Da:	3.54
IP(EA), eV:	-9.81(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C[C@@H](C1=CC=CC=C1)C(CC=C)(C#N)C#N

DOS

IR

Vibrations