Geometry & MOs

Info

ID:	265837
PubChem CID:	103553218
Reduced:	ClFN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	305.109503
ΔH_f, kcal/mol:	-60.54
Dipole, Da:	3.01
IP(EA), eV:	-8.21(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-fluoro-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1(CCCN(CC1)C2=C(C(=C(C=C2N)N)Cl)F)C

DOS

IR

Vibrations