Geometry & MOs

Info

ID:	374403
PubChem CID:	131328512
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	249.98048
ΔH_f, kcal/mol:	-54.94
Dipole, Da:	4.35
IP(EA), eV:	-9.39(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-(difluoromethyl)-6-methylphenyl]methanol

Drug info:

PubChemData

Smile

CC1=CSC2=C1C=C(C=C2[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations