Geometry & MOs

Info

ID:	244471
PubChem CID:	99355655
Reduced:	O2N6H20C23 (1)
Stoich.:	A2B6C20D23 (1)
Weight, g/mol:	456.13722
ΔH_f, kcal/mol:	42.98
Dipole, Da:	8.73
IP(EA), eV:	-8.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]butanoylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations