Geometry & MOs

Info

ID:	331267
PubChem CID:	127248674
Reduced:	ON6C23H30 (1)
Stoich.:	AB6C23D30 (1)
Weight, g/mol:	406.24811
ΔH_f, kcal/mol:	52.49
Dipole, Da:	5.08
IP(EA), eV:	-8.7(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)N(C)C

DOS

IR

Vibrations