Geometry & MOs

Info

ID:	438156
PubChem CID:	135227784
Reduced:	BrN4H13C19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	133.16
Dipole, Da:	3.2
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,5-dihydroxyphenyl)-3-methylbutyl]-6-hydroxy-2,4-dimethylbenzaldehyde

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)N(C2=C3C=C(C=CC3=NC=C2)Br)C4=CC=CC=N4

DOS

IR

Vibrations