Geometry & MOs

Info

ID:	228327
PubChem CID:	87563955
Reduced:	AsFH2N2C3 (1)
Stoich.:	ABC2D2E3 (1)
Weight, g/mol:	572.08207
ΔH_f, kcal/mol:	128.06
Dipole, Da:	2.59
IP(EA), eV:	-8.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-amino-N-(3-oxopropyl)anilino]-(7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)amino]propanal;dihydrobromide

Drug info:

PubChemData

Smile

C1=CN(N=C1[As])F

DOS

IR

Vibrations