Geometry & MOs

Info

ID:	405130
PubChem CID:	135072659
Reduced:	ClNC12H12 (1)
Stoich.:	ABC12D12 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	47.91
Dipole, Da:	3.41
IP(EA), eV:	-8.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

C#CC1=CC(=C2CCCCC2=C1N)Cl

DOS

IR

Vibrations