Geometry & MOs

Info

ID:	330329
PubChem CID:	127247316
Reduced:	O3N5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	2.87
IP(EA), eV:	-9.65(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CN3C(=O)CNC3=O

DOS

IR

Vibrations