Geometry & MOs

Info

ID:	364577
PubChem CID:	127315829
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-25.44
Dipole, Da:	5.62
IP(EA), eV:	-9.27(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[cyclopropylmethyl-[(3-hydroxyphenyl)methyl]amino]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCC2)NCC(=O)N(C)C3CC3

DOS

IR

Vibrations