Geometry & MOs

Info

ID:	247416
PubChem CID:	103071199
Reduced:	SN2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-5.92
Dipole, Da:	3.8
IP(EA), eV:	-8.39(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-ylmethyl)-N-ethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN(C)C(C)CSC

DOS

IR

Vibrations