Geometry & MOs

Info

ID:	221432
PubChem CID:	85273691
Reduced:	O3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	-229.0
Dipole, Da:	6.13
IP(EA), eV:	-9.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[(3,4-diamino-4-oxobutanoyl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C=C(OC1=O)C=CCCCCC=O)OC

DOS

IR

Vibrations