Geometry & MOs

Info

ID:	125271
PubChem CID:	50917906
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	9.52
Dipole, Da:	5.14
IP(EA), eV:	-9.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(4-methoxyphenyl)prop-2-ynamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C#CC1=CC=C(C=C1)C

DOS

IR

Vibrations