Geometry & MOs

Info

ID:	189712
PubChem CID:	77893596
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	14.39
Dipole, Da:	1.46
IP(EA), eV:	-8.8(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[11-[3-(methylamino)propylidene]-6a,10a-dihydro-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC=C(CC1=CC=C(C=C1)C)CN

DOS

IR

Vibrations