Geometry & MOs

Info

ID:	281643
PubChem CID:	103914161
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-90.09
Dipole, Da:	5.44
IP(EA), eV:	-9.34(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(=O)NCC1CC1

DOS

IR

Vibrations