Geometry & MOs

Info

ID:	312056
PubChem CID:	126602169
Reduced:	O2N3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	48.26
Dipole, Da:	5.67
IP(EA), eV:	-8.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(4-bromophenyl)-3,3-dimethylbutyl] carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)NC4=C3C=C(C=C4)OC)C#N

DOS

IR

Vibrations