Geometry & MOs

Info

ID:	416806
PubChem CID:	135090447
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	515.310769
ΔH_f, kcal/mol:	-90.19
Dipole, Da:	4.12
IP(EA), eV:	-9.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)CC3=CC=C(C=C3)CO

DOS

IR

Vibrations