Geometry & MOs

Info

ID:	435628
PubChem CID:	135191970
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	226.087291
ΔH_f, kcal/mol:	-148.39
Dipole, Da:	2.71
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-aminobutyl)-5-chlorophenyl]formamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)OC)N(C)C=O

DOS

IR

Vibrations