Geometry & MOs

Info

ID:	70616
PubChem CID:	48413598
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	388.26384
ΔH_f, kcal/mol:	-158.24
Dipole, Da:	5.84
IP(EA), eV:	-8.42(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations