Geometry & MOs

Info

ID:	142414
PubChem CID:	53031620
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	5.97
IP(EA), eV:	-8.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(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

CCOC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)N5CCCC5C3=O

DOS

IR

Vibrations