Geometry & MOs

Info

ID:	436380
PubChem CID:	135199594
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	5.71
IP(EA), eV:	-8.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[2-(N-ethylanilino)-2-oxoethyl]pyrrole-2-carbonyl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)N(C)C)OC5=C3C=CC(=C5)N(C)C

DOS

IR

Vibrations