Geometry & MOs

Info

ID:	128860
PubChem CID:	51060775
Reduced:	N2O4C33H48 (1)
Stoich.:	A2B4C33D48 (1)
Weight, g/mol:	416.03717
ΔH_f, kcal/mol:	-154.19
Dipole, Da:	2.17
IP(EA), eV:	-8.51(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC

DOS

IR

Vibrations