Geometry & MOs

Info

ID:	238220
PubChem CID:	92729806
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	5.2
IP(EA), eV:	-8.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6aR)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)C2=CC=CC(=C2)CN3C4=CC=CC=C4C(=O)N5CCC[C@H]5C3=O

DOS

IR

Vibrations