Geometry & MOs

Info

ID:	139890
PubChem CID:	52613126
Reduced:	O2N6H24C27 (1)
Stoich.:	A2B6C24D27 (1)
Weight, g/mol:	377.190341
ΔH_f, kcal/mol:	86.29
Dipole, Da:	2.77
IP(EA), eV:	-8.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(2-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCC4=NN=CN4C5=CC=CC=C5

DOS

IR

Vibrations