Geometry & MOs

Info

ID:	77096
PubChem CID:	48425798
Reduced:	N2O2C9H15 (2)
Stoich.:	A2B2C9D15 (2)
Weight, g/mol:	400.147073
ΔH_f, kcal/mol:	-210.89
Dipole, Da:	3.79
IP(EA), eV:	-9.36(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC(=O)N(CC)CC

DOS

IR

Vibrations