Geometry & MOs

Info

ID:	433104
PubChem CID:	135173241
Reduced:	N4O4C19H28 (1)
Stoich.:	A4B4C19D28 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-177.97
Dipole, Da:	4.95
IP(EA), eV:	-8.44(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-3-[(4-butoxyphenyl)methyl]-6-methyl-1,4,7-triazacycloundecane-2,5,8-trione

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC2C(=O)NCCCC(=O)N[C@H](C(=O)N2)N

DOS

IR

Vibrations