Geometry & MOs

Info

ID:	145661
PubChem CID:	53566199
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	3.84
IP(EA), eV:	-9.28(-0.79)
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)-4-[methyl(propyl)amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)NCCC3=CC=CC=N3

DOS

IR

Vibrations