Geometry & MOs

Info

ID:	330161
PubChem CID:	127247148
Reduced:	ON6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	70.62
Dipole, Da:	7.32
IP(EA), eV:	-9.3(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-5-yl)-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations