Geometry & MOs

Info

ID:	348801
PubChem CID:	127274449
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-84.67
Dipole, Da:	4.3
IP(EA), eV:	-9.18(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCCC1C)C(=O)C

DOS

IR

Vibrations