Geometry & MOs

Info

ID:	419237
PubChem CID:	135107812
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-11.98
Dipole, Da:	2.6
IP(EA), eV:	-8.85(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)N(CCN(C)C)CC2=C(NC=N2)C

DOS

IR

Vibrations