Geometry & MOs

Info

ID:	299841
PubChem CID:	117695907
Reduced:	OC4H9 (4)
Stoich.:	AB4C9 (4)
Weight, g/mol:	305.00514
ΔH_f, kcal/mol:	-269.69
Dipole, Da:	2.84
IP(EA), eV:	-10.19(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromophenyl)phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

CCCCCC(CC)(O)O.CCCC(C(CC)CO)O

DOS

IR

Vibrations