Geometry & MOs

Info

ID:	444857
PubChem CID:	135263760
Reduced:	N4O5C22H38 (1)
Stoich.:	A4B5C22D38 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-238.99
Dipole, Da:	6.92
IP(EA), eV:	-8.98(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(4-bromophenyl)-3,3-dimethylbutyl] carbamate

Drug info:

PubChemData

Smile

C[C@@H](CNC(C)C(=O)OC(C)(C)C)NCCCCCC(=O)NCCN1C(=O)C=CC1=O

DOS

IR

Vibrations