Geometry & MOs

Info

ID:	274007
PubChem CID:	103806477
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	335.9932
ΔH_f, kcal/mol:	-98.57
Dipole, Da:	4.11
IP(EA), eV:	-9.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-3-yl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone

Drug info:

PubChemData

Smile

COCCOCC(=O)N1CCNCC2=CC=CC=C21

DOS

IR

Vibrations