Geometry & MOs

Info

ID:	322590
PubChem CID:	126670576
Reduced:	N5O7C39H65 (1)
Stoich.:	A5B7C39D65 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	-366.78
Dipole, Da:	5.38
IP(EA), eV:	-9.21(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9a-dihydro-4aH-xanthen-9-amine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C)OC)OC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations