Geometry & MOs

Info

ID:	332768
PubChem CID:	127251078
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	412.258674
ΔH_f, kcal/mol:	10.59
Dipole, Da:	5.59
IP(EA), eV:	-8.76(-0.3)
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-(1-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN(N=C4)C)N(C)C

DOS

IR

Vibrations