Geometry & MOs

Info

ID:	257152
PubChem CID:	103144082
Reduced:	N2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	32.87
Dipole, Da:	0.84
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-methyloxolan-2-yl)methyl]azepan-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1CNCCC1C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations