Geometry & MOs

Info

ID:	330167
PubChem CID:	127247154
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	6.63
IP(EA), eV:	-8.57(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations