Geometry & MOs

Info

ID:	152628
PubChem CID:	56311623
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	430.165935
ΔH_f, kcal/mol:	-94.31
Dipole, Da:	5.26
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-chloro-4H-1,3-benzodioxin-8-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)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations