Geometry & MOs

Info

ID:	420148
PubChem CID:	135111403
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-24.01
Dipole, Da:	2.28
IP(EA), eV:	-8.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-imidazol-2-yl-[(1S,5S)-7-(pyridin-4-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)N2CCOC3=C(C2)C=C(C=C3)CO

DOS

IR

Vibrations