Geometry & MOs

Info

ID:	363521
PubChem CID:	127311600
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	2.87
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylcyclopropyl)-4-(5-methyl-1,3-benzoxazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4=C5C(=CC=C4)OCO5

DOS

IR

Vibrations