Geometry & MOs

Info

ID:	58965
PubChem CID:	24769859
Reduced:	N4O4C41H56 (1)
Stoich.:	A4B4C41D56 (1)
Weight, g/mol:	350.01537
ΔH_f, kcal/mol:	-181.97
Dipole, Da:	4.68
IP(EA), eV:	-8.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3,4-dimethoxy-5-phenylmethoxybenzaldehyde

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C)CC2=C(C(=C(N2)C(=O)OC(C)(C)C)C)CC)/C=C\3/C(=C4CCC(C4=N3)C5=C(C(=C(N5)C(=O)OC(C)(C)C)C)CC)C

DOS

IR

Vibrations