Geometry & MOs

Info

ID:	152536
PubChem CID:	56311490
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-80.03
Dipole, Da:	7.55
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentan-3-yl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=NN3C4CCCC4

DOS

IR

Vibrations