Geometry & MOs

Info

ID:	330159
PubChem CID:	127247146
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	50.67
Dipole, Da:	3.62
IP(EA), eV:	-9.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations