Geometry & MOs

Info

ID:	351027
PubChem CID:	127279464
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	3.05
IP(EA), eV:	-8.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)N2CCCC2C3CCC3)N4CCCCC4=O

DOS

IR

Vibrations