Geometry & MOs

Info

ID:	256206
PubChem CID:	103137722
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	70.95
Dipole, Da:	3.95
IP(EA), eV:	-7.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclobutyl-[(5-methyloxolan-2-yl)methyl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Br)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations