Geometry & MOs

Info

ID:	325154
PubChem CID:	126681579
Reduced:	FN4O4C30H31 (1)
Stoich.:	AB4C4D30E31 (1)
Weight, g/mol:	480.252526
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	2.61
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[cyclobutylmethoxy(phenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=CC=CC(=C2F)C(C3=CC=CC=C3)O)C4=CC=CC(=C4)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations