Geometry & MOs

Info

ID:	44217
PubChem CID:	10502042
Reduced:	OH12C15 (2)
Stoich.:	AB12C15 (2)
Weight, g/mol:	416.288637
ΔH_f, kcal/mol:	4.34
Dipole, Da:	3.63
IP(EA), eV:	-8.59(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C2CCC3=C(C2=C(C=C1)C)C4=C(C=CC5=C(C=CC(=C54)C)C)C6=C3C(=O)C=CC6=O

DOS

IR

Vibrations