Geometry & MOs

Info

ID:	331317
PubChem CID:	127248724
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	55.47
Dipole, Da:	3.01
IP(EA), eV:	-8.59(-0.28)
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-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CN2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)N(C)C

DOS

IR

Vibrations