Geometry & MOs

Info

ID:	25650
PubChem CID:	627903
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	395.267173
ΔH_f, kcal/mol:	-39.44
Dipole, Da:	2.94
IP(EA), eV:	-9.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,13-dihydroxy-7-(hydroxymethyl)-3,7-dimethyl-13-tetracyclo[10.3.1.01,10.03,8]hexadecanyl]methyl 2-aminoacetate

Drug info:

PubChemData

Smile

CC=C1C2CC3C4=NC5=CC=CC=C5C4(C2C(=O)OC)C(C1N3O)C=NO

DOS

IR

Vibrations