Geometry & MOs

Info

ID:	122374
PubChem CID:	50804006
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	406.08921
ΔH_f, kcal/mol:	-127.28
Dipole, Da:	3.55
IP(EA), eV:	-8.58(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[(2-bromophenyl)methylamino]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NC2=CC=C(C=C2)C)C

DOS

IR

Vibrations