Geometry & MOs

Info

ID:	256314
PubChem CID:	103138397
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-82.24
Dipole, Da:	3.44
IP(EA), eV:	-8.87(2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methyl]-2-phenylbutan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCCC2)CN

DOS

IR

Vibrations