Geometry & MOs

Info

ID:	333655
PubChem CID:	127252207
Reduced:	O2F3N4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-146.9
Dipole, Da:	2.7
IP(EA), eV:	-9.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CN=CC=C3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations