Geometry & MOs

Info

ID:	36759
PubChem CID:	8012305
Reduced:	F2N4O4H14C15 (1)
Stoich.:	A2B4C4D14E15 (1)
Weight, g/mol:	423.194677
ΔH_f, kcal/mol:	-228.14
Dipole, Da:	2.39
IP(EA), eV:	-10.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)N2CCNC2=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations