Geometry & MOs

Info

ID:	160174
PubChem CID:	57304915
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	216.158626
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	4.21
IP(EA), eV:	-7.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-4-[(diaminomethylideneamino)methyl]hexanoate

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CN2C3=C1C(CCC3)NC)OC

DOS

IR

Vibrations