Geometry & MOs

Info

ID:	282647
PubChem CID:	103934447
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	158.178299
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	4.06
IP(EA), eV:	-8.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=C1)C(=O)N2C[C@H](O[C@H](C2)C)C

DOS

IR

Vibrations