Geometry & MOs

Info

ID:	247417
PubChem CID:	103071202
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-6.84
Dipole, Da:	2.53
IP(EA), eV:	-8.65(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-ylmethyl)prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCNCC(=C)CN1CCCOC2=CC=CC=C21

DOS

IR

Vibrations