Geometry & MOs

Info

ID:	309300
PubChem CID:	126543481
Reduced:	N2C9H20 (1)
Stoich.:	A2B9C20 (1)
Weight, g/mol:	304.262697
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	1.97
IP(EA), eV:	-9.47(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1,3-dimethyl-1,4-diazepan-2-yl)methyl]pentyl]-3-methylbutanedinitrile

Drug info:

PubChemData

Smile

C=CCCCCC(CCN)N

DOS

IR

Vibrations