Geometry & MOs

Info

ID:	318910
PubChem CID:	126653704
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	402.213027
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	3.29
IP(EA), eV:	-8.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-9-(cyclopropylmethyl)-4-(3,3,3-trifluoropropanoyl)-4,9-diazatricyclo[4.3.1.03,8]decan-2-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=COC2=C1C(=NC=C2)N

DOS

IR

Vibrations