Geometry & MOs

Info

ID:	332769
PubChem CID:	127251079
Reduced:	ON3C11H16 (2)
Stoich.:	AB3C11D16 (2)
Weight, g/mol:	438.193487
ΔH_f, kcal/mol:	-41.57
Dipole, Da:	7.39
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)CC4(CCCCC4)O)N(C)C

DOS

IR

Vibrations