Geometry & MOs

Info

ID:	197280
PubChem CID:	78946717
Reduced:	ClN2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	258.07712
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	3.39
IP(EA), eV:	-8.39(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C2=C(C=C(C=C2)[C@@H](C)N)Cl

DOS

IR

Vibrations