Geometry & MOs

Info

ID:	331266
PubChem CID:	127248673
Reduced:	FO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	406.24811
ΔH_f, kcal/mol:	-42.58
Dipole, Da:	6.65
IP(EA), eV:	-8.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CCOC3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations