Geometry & MOs

Info

ID:	282033
PubChem CID:	103914686
Reduced:	ClN2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	17.59
Dipole, Da:	1.73
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methoxybutan-2-amine

Drug info:

PubChemData

Smile

CC1CC(CN1C2CC2)N[C@@H](C)C3=CC=CC=C3Cl

DOS

IR

Vibrations