Geometry & MOs

Info

ID:	152227
PubChem CID:	56311110
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-99.1
Dipole, Da:	2.25
IP(EA), eV:	-8.53(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)N(C)C(C)C3=CC=CC=C3

DOS

IR

Vibrations