Geometry & MOs

Info

ID:	152808
PubChem CID:	56311882
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	427.22712
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	5.34
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2CC(OC3=CC=CC=C32)C(=O)NC(CC)CC

DOS

IR

Vibrations