Geometry & MOs

Info

ID:	256824
PubChem CID:	103141657
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	43.86
Dipole, Da:	2.86
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C)C(C1=CC=CC2=C1C=NC=C2)NN

DOS

IR

Vibrations