Geometry & MOs

Info

ID:	283979
PubChem CID:	104023317
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-23.98
Dipole, Da:	3.7
IP(EA), eV:	-8.27(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CN)N1CCCOC2=CC=CC=C21

DOS

IR

Vibrations