Geometry & MOs

Info

ID:	245022
PubChem CID:	99432150
Reduced:	N3O7C22H23 (1)
Stoich.:	A3B7C22D23 (1)
Weight, g/mol:	476.169585
ΔH_f, kcal/mol:	-154.13
Dipole, Da:	7.7
IP(EA), eV:	-9.17(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

DOS

IR

Vibrations