Geometry & MOs

Info

ID:	157747
PubChem CID:	56436910
Reduced:	F2O2N3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	415.174336
ΔH_f, kcal/mol:	-123.1
Dipole, Da:	4.48
IP(EA), eV:	-8.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[cyano-(3,4,5-trimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CCO1)C2=NC=C(C=C2)CNCC3=C(C=CC4=CC=CC=C43)OC(F)F

DOS

IR

Vibrations