Geometry & MOs

Info

ID:	264851
PubChem CID:	103497824
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	285.168856
ΔH_f, kcal/mol:	-192.44
Dipole, Da:	6.64
IP(EA), eV:	-9.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-amino-2-oxoethyl)-1,4-diazepan-1-yl]-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)C(=O)NC(=O)C(=C(C)C(=O)O)C

DOS

IR

Vibrations