Geometry & MOs

Info

ID:	439058
PubChem CID:	135228821
Reduced:	N3C30H41 (1)
Stoich.:	A3B30C41 (1)
Weight, g/mol:	233.96917
ΔH_f, kcal/mol:	38.21
Dipole, Da:	6.21
IP(EA), eV:	-7.27(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3-fluorophenyl)-methoxymethanol

Drug info:

PubChemData

Smile

CCCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)CC)/C(=C(\C)/N)/C=NC)C(C)(C)C

DOS

IR

Vibrations