Geometry & MOs

Info

ID:	371081
PubChem CID:	127342316
Reduced:	SO2N6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-2.13
Dipole, Da:	3.64
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-yl)-N-(2-methylcyclopropyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations