Geometry & MOs

Info

ID:	272197
PubChem CID:	103734657
Reduced:	ClIN2O2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	-22.35
Dipole, Da:	3.17
IP(EA), eV:	-9.43(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethylcyclopropyl)methylamino]butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations