Geometry & MOs

Info

ID:	180903
PubChem CID:	76701706
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	380.159689
ΔH_f, kcal/mol:	-136.77
Dipole, Da:	6.1
IP(EA), eV:	-10.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-cyclopropyl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]oxy]propanamide

Drug info:

PubChemData

Smile

CCN1C(C(C(=O)NC1=O)C(C)(C)O)C(=O)C2=CC(=CC(=C2)C#N)C

DOS

IR

Vibrations