Geometry & MOs

Info

ID:	331277
PubChem CID:	127248684
Reduced:	FON6C25H29 (1)
Stoich.:	ABC6D25E29 (1)
Weight, g/mol:	424.238688
ΔH_f, kcal/mol:	-4.04
Dipole, Da:	6.07
IP(EA), eV:	-8.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)C3=NNC4=C3CCCCC4)C5=CC(=CC=C5)F

DOS

IR

Vibrations