Geometry & MOs

Info

ID:	17583
PubChem CID:	506326
Reduced:	N3O5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	475.210721
ΔH_f, kcal/mol:	-149.26
Dipole, Da:	4.53
IP(EA), eV:	-9.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(4-benzoyl-2-tert-butylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=C3C(=O)OC)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations