Geometry & MOs

Info

ID:	153429
PubChem CID:	56312627
Reduced:	FON3C24H32 (1)
Stoich.:	ABC3D24E32 (1)
Weight, g/mol:	368.20124
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	6.16
IP(EA), eV:	-8.36(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations