Geometry & MOs

Info

ID:	305468
PubChem CID:	124955702
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	3.83
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)phenyl]-[(3R)-3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)[C@@]3(CCCN(C3)C(=O)C4=CC=CC=C4F)C)C

DOS

IR

Vibrations