Geometry & MOs

Info

ID:	73166
PubChem CID:	48417135
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	301.117489
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	4.02
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(5-amino-4-cyanopyrazole-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations