Geometry & MOs

Info

ID:	327041
PubChem CID:	126688911
Reduced:	O5N7C34H49 (1)
Stoich.:	A5B7C34D49 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	-142.11
Dipole, Da:	5.37
IP(EA), eV:	-8.14(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminophenyl)-(2,3-dibutoxyphenyl)methanol

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=C3C=NN(C3=NC(=N2)NC4=CC=C(C=C4)OCCCCCCC(=O)NOC5CCCCO5)C6CCCCO6

DOS

IR

Vibrations