Geometry & MOs

Info

ID:	368921
PubChem CID:	127330929
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-120.34
Dipole, Da:	2.71
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)N3CCC(CC3)OC4CCCC4

DOS

IR

Vibrations