Geometry & MOs

Info

ID:	440175
PubChem CID:	135230084
Reduced:	NC15H33 (1)
Stoich.:	AB15C33 (1)
Weight, g/mol:	610.279135
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	1.7
IP(EA), eV:	-8.85(3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-3-[5-[[(6aS)-8-methyl-11-oxo-2-[(E)-prop-1-enoxy]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methyl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Drug info:

PubChemData

Smile

CCCC(C)CCCCCCCNCCC

DOS

IR

Vibrations