Geometry & MOs

Info

ID:	408383
PubChem CID:	135081149
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	164.131349
ΔH_f, kcal/mol:	-77.75
Dipole, Da:	3.28
IP(EA), eV:	-9.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-phenylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CC[C@H](C(C(=O)NCC1=CC=CC=C1)O)N

DOS

IR

Vibrations