Geometry & MOs

Info

ID:	332774
PubChem CID:	127251084
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	434.27941
ΔH_f, kcal/mol:	45.7
Dipole, Da:	2.23
IP(EA), eV:	-8.33(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=CC(=C2)CN3CCC(C3)C4=NC(=NC=C4C5=CN(N=C5)C)N(C)C)C

DOS

IR

Vibrations