Geometry & MOs

Info

ID:	126699
PubChem CID:	50973501
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-43.32
Dipole, Da:	1.62
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2CCN(CC2)C(=O)[C@@]34CNC[C@@H]3CN(C4)C

DOS

IR

Vibrations