Geometry & MOs

Info

ID:	25787
PubChem CID:	630543
Reduced:	N2O5H16C21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	334.204513
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	7.98
IP(EA), eV:	-9.17(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dibenzyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C(=O)C)N=C2C(=O)C3=C(O2)C=CC4=C3OC(=O)C=C4C

DOS

IR

Vibrations