Geometry & MOs

Info

ID:	437521
PubChem CID:	135226508
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	6.53
IP(EA), eV:	-9.26(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4,10-diamino-2-methyldecan-3-one

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C=C1)CC(=O)OC(C)(C)C

DOS

IR

Vibrations