Geometry & MOs

Info

ID:	148359
PubChem CID:	53788021
Reduced:	BrO4N5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	9.16
IP(EA), eV:	-8.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC)CC(=O)OCC

DOS

IR

Vibrations