Geometry & MOs

Info

ID:	204066
PubChem CID:	79908134
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	2.49
IP(EA), eV:	-9.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-(thiophen-3-ylmethyl)-4H-1,4-benzodiazepine-2,5-dione

Drug info:

PubChemData

Smile

CCNC(C1CCOC2(C1)CCOCC2)C3=NC=CC=N3

DOS

IR

Vibrations