Geometry & MOs

Info

ID:	399117
PubChem CID:	135037916
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	232.105922
ΔH_f, kcal/mol:	-141.82
Dipole, Da:	5.53
IP(EA), eV:	-7.93(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6R,6aR)-6-amino-5-(aminomethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(CCCCO)NC1=CC=C(C=C1)OC)O

DOS

IR

Vibrations