Geometry & MOs

Info

ID:	270680
PubChem CID:	103637631
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	402.04404
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	5.4
IP(EA), eV:	-9.56(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-hydroxy-5-iodobenzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)CNC(C)(C)C

DOS

IR

Vibrations