Geometry & MOs

Info

ID:	416374
PubChem CID:	135089387
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	2.39
IP(EA), eV:	-9.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-[(5-methylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(CC1)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations