Geometry & MOs

Info

ID:	426794
PubChem CID:	135153895
Reduced:	BrO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	364.04226
ΔH_f, kcal/mol:	-105.23
Dipole, Da:	2.81
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)-5-methylpyridin-2-yl]-[(4-methoxyphenyl)methyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)Br)CCC(=O)O

DOS

IR

Vibrations