Geometry & MOs

Info

ID:	70594
PubChem CID:	48413570
Reduced:	N3O4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-134.98
Dipole, Da:	2.15
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC=CO2

DOS

IR

Vibrations