Geometry & MOs

Info

ID:	224854
PubChem CID:	85483828
Reduced:	BrNOH2C4 (2)
Stoich.:	ABCD2E4 (2)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	5.16
IP(EA), eV:	-10.65(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=C(C=C2C(=NC(=O)NC2=O)C1Br)Br

DOS

IR

Vibrations