Geometry & MOs

Info

ID:	266401
PubChem CID:	103564783
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	3.87
IP(EA), eV:	-8.69(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-hydroxy-3-methylcyclobutyl)butanoate

Drug info:

PubChemData

Smile

CC(C)C1CC(C1)(CO)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations