Geometry & MOs

Info

ID:	433817
PubChem CID:	135173960
Reduced:	N5C14H15 (1)
Stoich.:	A5B14C15 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	128.87
Dipole, Da:	4.35
IP(EA), eV:	-8.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-[2-[[C-[(1Z,3Z)-1-amino-4-(methylamino)buta-1,3-dien-2-yl]-N-methylcarbonimidoyl]-methylamino]ethyl]-2-methylazetidine-1-carboxylate

Drug info:

PubChemData

Smile

C#C[C@H]1CN[C@]12CCN(C2)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations