Geometry & MOs

Info

ID:	370495
PubChem CID:	127339033
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	373.119319
ΔH_f, kcal/mol:	-42.2
Dipole, Da:	4.12
IP(EA), eV:	-8.79(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCC(CC2)C(=O)N3CCC(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations