Geometry & MOs

Info

ID:	291652
PubChem CID:	113456003
Reduced:	BrN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	311.09971
ΔH_f, kcal/mol:	18.94
Dipole, Da:	3.08
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromopyridin-3-yl)methyl]-3-propan-2-yl-1,4-diazepane

Drug info:

PubChemData

Smile

CCC1(CNCCN1CC2=CC(=CN=C2)Br)CC

DOS

IR

Vibrations