Geometry & MOs

Info

ID:	360331
PubChem CID:	127300974
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	11.54
Dipole, Da:	4.52
IP(EA), eV:	-8.61(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyloxy-3-methoxyphenyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations