Geometry & MOs

Info

ID:	322601
PubChem CID:	126670624
Reduced:	OPN2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	364.160992
ΔH_f, kcal/mol:	-66.88
Dipole, Da:	5.92
IP(EA), eV:	-7.93(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,2S)-2-hydroxy-4-(3,3,3-trifluoropropanoyl)-4,9-diazatricyclo[4.3.1.03,8]decane-9-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CN2C(=C1N)P(=O)(C3=CC=CC=C3C2(C)C)C(C)C

DOS

IR

Vibrations