Geometry & MOs

Info

ID:	421473
PubChem CID:	135116065
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	2.41
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[3-(2-methylphenyl)benzoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)NC(=O)C4CCCC4

DOS

IR

Vibrations