Geometry & MOs

Info

ID:	152799
PubChem CID:	56311870
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-92.66
Dipole, Da:	1.79
IP(EA), eV:	-8.16(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-nitrothiophen-3-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(C)C

DOS

IR

Vibrations