Geometry & MOs

Info

ID:	360296
PubChem CID:	127300939
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	1.7
IP(EA), eV:	-8.85(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC(=CC=C3)OCC4CCCO4

DOS

IR

Vibrations