Geometry & MOs

Info

ID:	332758
PubChem CID:	127251068
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	20.45
Dipole, Da:	4.19
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethoxyphenyl)-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(C1)C2=NC(=NC=C2C3=CN(N=C3)C)N(C)C

DOS

IR

Vibrations