Geometry & MOs

Info

ID:	330187
PubChem CID:	127247174
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	4.42
IP(EA), eV:	-8.9(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-propylpyrazol-4-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=C(OC4=C3CCCC4)C

DOS

IR

Vibrations