Geometry & MOs

Info

ID:	418787
PubChem CID:	135106798
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-119.24
Dipole, Da:	4.0
IP(EA), eV:	-8.7(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(4-phenylmethoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)N(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations