Geometry & MOs

Info

ID:	326494
PubChem CID:	126687663
Reduced:	NO5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	165.100108
ΔH_f, kcal/mol:	-157.56
Dipole, Da:	3.55
IP(EA), eV:	-8.84(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1,3-dimethoxybutane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C2=C3CCC(C3=CC=C2)OC4=CC5=C(C=C4)[C@@H](CO5)CC(=O)O)C)OC

DOS

IR

Vibrations