Geometry & MOs

Info

ID:	69208
PubChem CID:	46530455
Reduced:	O2N5H27C30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	81.37
Dipole, Da:	3.5
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-5-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations