Geometry & MOs

Info

ID:	415506
PubChem CID:	135088502
Reduced:	N5C24H27 (1)
Stoich.:	A5B24C27 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	75.92
Dipole, Da:	0.86
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(1,2-dimethylpyrrole-3-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5)C

DOS

IR

Vibrations