Geometry & MOs

Info

ID:	182236
PubChem CID:	76862097
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	308.01604
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	3.43
IP(EA), eV:	-8.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)C=CC(=O)NCCN3CCCCC3

DOS

IR

Vibrations