Geometry & MOs

Info

ID:	163012
PubChem CID:	57581368
Reduced:	N3O4H29C32 (1)
Stoich.:	A3B4C29D32 (1)
Weight, g/mol:	389.123878
ΔH_f, kcal/mol:	-38.53
Dipole, Da:	4.33
IP(EA), eV:	-8.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-5-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC(=C4)C#N)OCC

DOS

IR

Vibrations