Geometry & MOs

Info

ID:	332767
PubChem CID:	127251077
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	2.57
Dipole, Da:	3.96
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)(C)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN(N=C4)C)N(C)C

DOS

IR

Vibrations