Geometry & MOs

Info

ID:	355411
PubChem CID:	127288474
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	2.09
IP(EA), eV:	-8.98(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations