Geometry & MOs

Info

ID:	350020
PubChem CID:	127276893
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-34.34
Dipole, Da:	3.94
IP(EA), eV:	-8.78(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(C2=CC=CC=C2C1)C

DOS

IR

Vibrations