Geometry & MOs

Info

ID:	332772
PubChem CID:	127251082
Reduced:	FO2N6C23H27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	-32.39
Dipole, Da:	7.92
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)CCOC4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations