Geometry & MOs

Info

ID:	360333
PubChem CID:	127300976
Reduced:	OSN6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	55.41
Dipole, Da:	1.55
IP(EA), eV:	-8.98(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(oxolan-2-ylmethoxy)phenyl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations