Geometry & MOs

Info

ID:	227793
PubChem CID:	87562503
Reduced:	BSN4O4C23H31 (1)
Stoich.:	ABC4D4E23F31 (1)
Weight, g/mol:	241.99424
ΔH_f, kcal/mol:	-198.43
Dipole, Da:	3.66
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-bromoethoxy)phenyl]acetaldehyde

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCC4=NC=C(O4)C(C)(C)C

DOS

IR

Vibrations