Geometry & MOs

Info

ID:	80297
PubChem CID:	49833884
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-32.0
Dipole, Da:	5.2
IP(EA), eV:	-8.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,6R)-4-(10H-imidazo[1,2-b][2]benzazepin-4-yl)-2,6-dimethylpiperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CN2CC3=CC=CC=C3C=C(C2=N1)N4CCN(CC4)CC(C)(C)C(=O)O

DOS

IR

Vibrations