Geometry & MOs

Info

ID:	256273
PubChem CID:	103138125
Reduced:	ClN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	267.138992
ΔH_f, kcal/mol:	72.34
Dipole, Da:	3.37
IP(EA), eV:	-9.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=NC=C1)Cl)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations