Geometry & MOs

Info

ID:	330265
PubChem CID:	127247252
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	6.96
IP(EA), eV:	-9.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations