Geometry & MOs

Info

ID:	360569
PubChem CID:	127301214
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	6.59
IP(EA), eV:	-9.1(-0.26)
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-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)N2CCC(CC2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations