Geometry & MOs

Info

ID:	350201
PubChem CID:	127277279
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-11.0
Dipole, Da:	5.78
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations