Geometry & MOs

Info

ID:	144206
PubChem CID:	53332067
Reduced:	O2F3N5H22C25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	-101.22
Dipole, Da:	2.13
IP(EA), eV:	-8.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN(C4=O)CC5=CC=CC=C5C(F)(F)F)C3=C2

DOS

IR

Vibrations