Geometry & MOs

Info

ID:	331316
PubChem CID:	127248723
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	19.02
Dipole, Da:	3.83
IP(EA), eV:	-8.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)CN2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)OC

DOS

IR

Vibrations