Geometry & MOs

Info

ID:	258451
PubChem CID:	103154128
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	292.103477
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	6.93
IP(EA), eV:	-9.1(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[2-(trifluoromethoxy)phenyl]butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=C(C=C1)C(=O)N)CN

DOS

IR

Vibrations