Geometry & MOs

Info

ID:	311631
PubChem CID:	126595872
Reduced:	N2O3C10H17 (2)
Stoich.:	A2B3C10D17 (2)
Weight, g/mol:	318.210742
ΔH_f, kcal/mol:	-253.77
Dipole, Da:	5.02
IP(EA), eV:	-9.59(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-2-amino-1-(4-fluorophenyl)but-2-enyl]-4-cyclopropyl-2-ethylbutanamide

Drug info:

PubChemData

Smile

C/C=C(/CCC(C(=O)O)N)\C=C(\CCC(C(=O)O)N)/C(=NC)CCCC(C(=O)O)N

DOS

IR

Vibrations