Geometry & MOs

Info

ID:	307547
PubChem CID:	125307438
Reduced:	O5N7C20H25 (1)
Stoich.:	A5B7C20D25 (1)
Weight, g/mol:	317.147452
ΔH_f, kcal/mol:	-149.95
Dipole, Da:	7.88
IP(EA), eV:	-8.11(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,2S,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methylamino]acetic acid

Drug info:

PubChemData

Smile

C1[C@H]2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)CN[C@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations