Geometry & MOs

Info

ID:	325805
PubChem CID:	126685053
Reduced:	NO2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	130.146999
ΔH_f, kcal/mol:	-190.56
Dipole, Da:	2.02
IP(EA), eV:	-9.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-4-N,3-dimethylpentane-2,4-diamine

Drug info:

PubChemData

Smile

CC(=O)C(=CNCCN/C=C(/C(=O)C)\C(=O)CC1CCC2CCCCC2C1)C(=O)C

DOS

IR

Vibrations