Geometry & MOs

Info

ID:	126747
PubChem CID:	50976670
Reduced:	O2N7C18H21 (1)
Stoich.:	A2B7C18D21 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	7.53
IP(EA), eV:	-9.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=C2)NCCC3=NC(=O)C4=CC=CC=C4N3)N

DOS

IR

Vibrations