Geometry & MOs

Info

ID:	232223
PubChem CID:	87575744
Reduced:	O2N4H14C19 (1)
Stoich.:	A2B4C14D19 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	73.75
Dipole, Da:	3.95
IP(EA), eV:	-9.28(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(2-amino-1,3-thiazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=NN4)C(=C3)C(=O)NO

DOS

IR

Vibrations