Geometry & MOs

Info

ID:	422794
PubChem CID:	135118418
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	423.248169
ΔH_f, kcal/mol:	-38.98
Dipole, Da:	3.24
IP(EA), eV:	-8.6(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-methyl-11-[(2R)-5-oxopyrrolidine-2-carbonyl]-5-propan-2-yl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations