Geometry & MOs

Info

ID:	330331
PubChem CID:	127247318
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	66.96
Dipole, Da:	3.07
IP(EA), eV:	-9.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations