Geometry & MOs

Info

ID:	289968
PubChem CID:	104392816
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	297.14887
ΔH_f, kcal/mol:	-101.16
Dipole, Da:	1.55
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluoro-5-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)(C)C)NCC1CC2=C(O1)C=CC(=C2)Cl

DOS

IR

Vibrations