Geometry & MOs

Info

ID:	322531
PubChem CID:	126670412
Reduced:	N5C17H23 (1)
Stoich.:	A5B17C23 (1)
Weight, g/mol:	416.228677
ΔH_f, kcal/mol:	47.03
Dipole, Da:	4.2
IP(EA), eV:	-8.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CCCNC)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations