Geometry & MOs

Info

ID:	306011
PubChem CID:	125000122
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	14.98
Dipole, Da:	5.57
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)[C@H]2CCN(C2)C(=O)CCN3C=CC(=N3)C

DOS

IR

Vibrations