Geometry & MOs

Info

ID:	256826
PubChem CID:	103141662
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	294.267114
ΔH_f, kcal/mol:	7.59
Dipole, Da:	2.94
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

C1CC(OC1)CCC(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations