Geometry & MOs

Info

ID:	156043
PubChem CID:	56368889
Reduced:	N3O5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	400.08987
ΔH_f, kcal/mol:	-212.72
Dipole, Da:	3.1
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations