Geometry & MOs

Info

ID:	419833
PubChem CID:	135109252
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	497.263819
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	6.07
IP(EA), eV:	-8.99(-0.42)
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-2-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CCN1C=NC=C1CNC2=NC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations