Geometry & MOs

Info

ID:	256274
PubChem CID:	103138128
Reduced:	ClNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-59.89
Dipole, Da:	4.88
IP(EA), eV:	-9.13(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=CC=C2Cl)CN

DOS

IR

Vibrations