Geometry & MOs

Info

ID:	245586
PubChem CID:	99455468
Reduced:	ON6C24H24 (1)
Stoich.:	AB6C24D24 (1)
Weight, g/mol:	416.176087
ΔH_f, kcal/mol:	80.15
Dipole, Da:	4.86
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[2-(pyrazin-2-ylamino)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCNC3=NC=CN=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations