Geometry & MOs

Info

ID:	255958
PubChem CID:	103135914
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	62.8
Dipole, Da:	3.61
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(5-methyloxolan-2-yl)-1-phenylpropan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations