Geometry & MOs

Info

ID:	254065
PubChem CID:	103122485
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	350.07422
ΔH_f, kcal/mol:	8.51
Dipole, Da:	7.29
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-bromoethyl)-1,4-diazepan-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=NN(C2=CC=CC=C21)C)Br

DOS

IR

Vibrations