Geometry & MOs

Info

ID:	332778
PubChem CID:	127251088
Reduced:	FON6C24H29 (1)
Stoich.:	ABC6D24E29 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	0.61
Dipole, Da:	2.59
IP(EA), eV:	-8.64(-0.18)
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]-2-(4-methoxyphenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations