Geometry & MOs

Info

ID:	322450
PubChem CID:	126670191
Reduced:	NO3C25H39 (1)
Stoich.:	AB3C25D39 (1)
Weight, g/mol:	236.07758
ΔH_f, kcal/mol:	-139.53
Dipole, Da:	3.58
IP(EA), eV:	-9.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-ethyl-2,4,4-trimethylpentan-1-ol

Drug info:

PubChemData

Smile

CC(CO)CO/N=C(\C)/[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

DOS

IR

Vibrations