Geometry & MOs

Info

ID:	435619
PubChem CID:	135191958
Reduced:	ClO3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	260.113648
ΔH_f, kcal/mol:	-36.87
Dipole, Da:	4.81
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[2-(methylamino)-5-(trifluoromethyl)phenyl]butanal

Drug info:

PubChemData

Smile

C[C@H](COC1=C(C(=CC=C1)Cl)NC=O)NC(=O)C2=NNC(=N2)CC3=CC=CC=C3

DOS

IR

Vibrations