Geometry & MOs

Info

ID:	355406
PubChem CID:	127288469
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-14.62
Dipole, Da:	2.57
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations