Geometry & MOs

Info

ID:	421824
PubChem CID:	135116684
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-159.96
Dipole, Da:	3.89
IP(EA), eV:	-8.87(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S,6R,7R)-3-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C1CC(OC1)CN2CCC3(CC2)CN(C(=O)CCO3)CCOC4=CC=CC=C4

DOS

IR

Vibrations