Geometry & MOs

Info

ID:	283883
PubChem CID:	104015958
Reduced:	BrSN2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	288.099774
ΔH_f, kcal/mol:	78.21
Dipole, Da:	4.3
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations