Geometry & MOs

Info

ID:	56398
PubChem CID:	17425318
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	333.132471
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	1.19
IP(EA), eV:	-8.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations