Geometry & MOs

Info

ID:	80296
PubChem CID:	49833876
Reduced:	O2N4F6H28C31 (1)
Stoich.:	A2B4C6D28E31 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-325.8
Dipole, Da:	7.23
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[4-(2-methyl-10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5CCCCC5C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations