Geometry & MOs

Info

ID:	153219
PubChem CID:	56312380
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-51.8
Dipole, Da:	3.43
IP(EA), eV:	-8.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CCC(=O)NC2=CC3=C(C=C2)OCO3)CC4CC4

DOS

IR

Vibrations