Geometry & MOs

Info

ID:	321182
PubChem CID:	126665110
Reduced:	SN3C14H28 (1)
Stoich.:	AB3C14D28 (1)
Weight, g/mol:	364.097855
ΔH_f, kcal/mol:	13.2
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772393
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-4-(5-methoxy-2-benzofuran-1-yl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CN(C)CCC[N+]1=CN(C=C1)CCCCCCS

DOS

IR

Vibrations