Geometry & MOs

Info

ID:	190791
PubChem CID:	78058216
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	329.292994
ΔH_f, kcal/mol:	-61.26
Dipole, Da:	1.91
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dibutoxy-4-(butoxymethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)NC(CC)C4=CC=CC=C4)O)O

DOS

IR

Vibrations