Geometry & MOs

Info

ID:	416080
PubChem CID:	135089088
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	497.263819
ΔH_f, kcal/mol:	-172.98
Dipole, Da:	2.16
IP(EA), eV:	-8.38(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC

DOS

IR

Vibrations