Geometry & MOs

Info

ID:	283975
PubChem CID:	104023126
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	13.12
Dipole, Da:	2.13
IP(EA), eV:	-8.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC1=NN(C(=C1N)N2CCCOC3=CC=CC=C32)C(C)C

DOS

IR

Vibrations