Geometry & MOs

Info

ID:	419334
PubChem CID:	135107990
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	4.35
IP(EA), eV:	-8.94(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S)-7-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)C(=O)N(CCN(C)C)CC2=CN=CN2)C

DOS

IR

Vibrations