Geometry & MOs

Info

ID:	438485
PubChem CID:	135228227
Reduced:	NO6C15H29 (1)
Stoich.:	AB6C15D29 (1)
Weight, g/mol:	384.110151
ΔH_f, kcal/mol:	-331.63
Dipole, Da:	2.84
IP(EA), eV:	-9.56(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-5-(2-methoxyethanimidoyl)-3-(3-methyl-1,2-oxazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-imine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)(CCO)C(C(C)(O)O)O

DOS

IR

Vibrations