Geometry & MOs

Info

ID:	351051
PubChem CID:	127279488
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-148.09
Dipole, Da:	3.21
IP(EA), eV:	-8.26(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)NC(=O)N3CCCC3C4=CC5=C(C=C4)OCO5)C

DOS

IR

Vibrations