Geometry & MOs

Info

ID:	142415
PubChem CID:	53031621
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	488.278741
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	4.33
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclohexyl(methyl)amino]ethyl]-4-[(6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)N5CCCC5C3=O

DOS

IR

Vibrations