Geometry & MOs

Info

ID:	283976
PubChem CID:	104023279
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	10.97
Dipole, Da:	2.94
IP(EA), eV:	-8.41(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)cycloheptyl]methanamine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)CC3=CC=CC=C3N

DOS

IR

Vibrations