Geometry & MOs

Info

ID:	325142
PubChem CID:	126681398
Reduced:	FO2N4C30H31 (1)
Stoich.:	AB2C4D30E31 (1)
Weight, g/mol:	484.227454
ΔH_f, kcal/mol:	-8.32
Dipole, Da:	1.95
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C)OCC5CC5

DOS

IR

Vibrations