Geometry & MOs

Info

ID:	360295
PubChem CID:	127300938
Reduced:	O2N7C18H23 (1)
Stoich.:	A2B7C18D23 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	2.65
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(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)CN3C=NC4=C(C3=O)C=NN4C

DOS

IR

Vibrations