Geometry & MOs

Info

ID:	272509
PubChem CID:	103744089
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	9.41
Dipole, Da:	2.38
IP(EA), eV:	-8.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCCC3=NC=NO3

DOS

IR

Vibrations