Geometry & MOs

Info

ID:	327614
PubChem CID:	126690524
Reduced:	N3O3C30H37 (1)
Stoich.:	A3B3C30D37 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	6.23
IP(EA), eV:	-8.22(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(10E)-10-(aminomethylidene)-3a,4-dihydro-[1]benzoxepino[3,4-b]pyrrol-8-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C1=CC\2=C(C=C1)OCC3C(=CC=CN3)/C2=C\CCN4CC[C@H](C4)OCC5=CC=C(C=C5)N)O

DOS

IR

Vibrations