Geometry & MOs

Info

ID:	447678
PubChem CID:	135284741
Reduced:	FO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	3.72
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromophenoxy)-2,4-dimethylpent-4-en-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCN1CC2=NC=CC(=C2C1=O)C3=CC(=C(C=C3)OCC(C)(CC(C)C)N)F

DOS

IR

Vibrations