Geometry & MOs

Info

ID:	446625
PubChem CID:	135276488
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	479.233268
ΔH_f, kcal/mol:	33.09
Dipole, Da:	5.59
IP(EA), eV:	-8.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[4-[[7-(2-methoxyethoxy)-1-methyl-10,10a-dihydropyrazolo[3,4-c][1]benzazepin-4-yl]amino]butyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N3C(=NN=C3C(=N2)NCCCCN)C

DOS

IR

Vibrations