Geometry & MOs

Info

ID:	331279
PubChem CID:	127248686
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	60.3
Dipole, Da:	4.38
IP(EA), eV:	-8.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)N(C)C

DOS

IR

Vibrations