Geometry & MOs

Info

ID:	209394
PubChem CID:	80664984
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	292.07864
ΔH_f, kcal/mol:	15.42
Dipole, Da:	4.44
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-ethoxyethanone

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=CN(N=C1)C2=CC=CC=C2)Br

DOS

IR

Vibrations