Geometry & MOs

Info

ID:	368922
PubChem CID:	127330930
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-64.63
Dipole, Da:	3.45
IP(EA), eV:	-8.6(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations