Geometry & MOs

Info

ID:	256396
PubChem CID:	103138987
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	241.240565
ΔH_f, kcal/mol:	-19.26
Dipole, Da:	4.33
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylbutan-1-amine

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC2=C1C=NC=C2)O

DOS

IR

Vibrations