Geometry & MOs

Info

ID:	330724
PubChem CID:	127248131
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	436.227454
ΔH_f, kcal/mol:	6.68
Dipole, Da:	3.78
IP(EA), eV:	-9.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-(4-methylphenyl)pyrazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C=N2)CNC(=O)C)C3CCN(C3)CC4=CN=C(N=C4)OC

DOS

IR

Vibrations