Geometry & MOs

Info

ID:	70837
PubChem CID:	48413934
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-49.72
Dipole, Da:	1.44
IP(EA), eV:	-9.02(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethyl-5-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)COC2=CC=CC=C2C(C)(C)C

DOS

IR

Vibrations